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(2-Aminoethyl)isothiourea structure
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(2-Aminoethyl)isothiourea

TL;DR: (2-Aminoethyl)isothiourea (CAS 151-16-6) is a chemical compound with molecular formula C3H9N3S and molecular weight 119.05172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-aminoethyl carbamimidothioate

Also Known As: 2-Aminoethyl carbamimidothioate, Aminoethylisothiuronium, aminoethylisothiourea, (2-Aminoethyl)isothiourea, S-(2-Aminoethyl)isothiourea

CAS Number
151-16-6
Molecular Formula
C3H9N3S
Molecular Weight
119.05172 g/mol
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Application Areas

Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (3 patents) Biotechnology (4 patents) Heterocyclic Building Blocks (17 patents) Organic Building Blocks (2 patents) Peptides & Amino Acids (4 patents)

Technical Specifications

Molecular FormulaC3H9N3S
Molecular Weight119.05172 g/mol
XLogP-0.8
Topological Polar Surface Area (TPSA)101.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass119.05172 Da
Heavy Atoms7
Complexity63.0
SMILESC(CSC(=N)N)N
InChIKeyNWPCXGGYSQHQGM-UHFFFAOYSA-N

Product Description

Applications: (2-Aminoethyl)isothiourea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A pharmaceutical intermediate supplied by CoreyChem, (2-Aminoethyl)isothiourea (CAS 151-16-6) has the molecular formula C3H9N3S and a molecular weight of 119.05 g/mol. Synonyms include 2-Aminoethyl carbamimidothioate and Aminoethylisothiuronium.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of (2-Aminoethyl)isothiourea

XLogP
-0.8
TPSA (Topological Polar Surface Area)
101.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
7
Complexity
63.0
Exact Mass
119.05172
Monoisotopic Mass
119.05172
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2-Aminoethyl)isothiourea

The XLogP value of -0.8 indicates that (2-Aminoethyl)isothiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Aminoethyl)isothiourea. Following Lipinski's Rule of Five, (2-Aminoethyl)isothiourea has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (2-Aminoethyl)isothiourea?

The CAS number of (2-Aminoethyl)isothiourea is 151-16-6.

What is the molecular formula of (2-Aminoethyl)isothiourea?

The molecular formula of (2-Aminoethyl)isothiourea is C3H9N3S.

What is the molecular weight of (2-Aminoethyl)isothiourea?

The molecular weight of (2-Aminoethyl)isothiourea is 119.05172 g/mol.

What are the applications of (2-Aminoethyl)isothiourea?

(2-Aminoethyl)isothiourea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...

Where can I buy (2-Aminoethyl)isothiourea?

You can request a quote for (2-Aminoethyl)isothiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2-Aminoethyl)isothiourea?

Yes, CoreyChem provides custom synthesis services for (2-Aminoethyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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