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Carbamothioic acid, ammonium salt (1:1) structure
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Carbamothioic acid, ammonium salt (1:1)

TL;DR: Carbamothioic acid, ammonium salt (1:1) (CAS 16687-42-6) is a chemical compound with molecular formula CH6N2OS and molecular weight 94.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

azanium carbamothioate

Also Known As: Ammonium thiocarbamate, azanium;carbamothioate, Ammonium carbamothioate, Ammoniumthiocarbaminat, azanium carbamothioate

CAS Number
16687-42-6
Molecular Formula
CH6N2OS
Molecular Weight
94.02008 g/mol
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Technical Specifications

Molecular FormulaCH6N2OS
Molecular Weight94.02008 g/mol
XLogP-0.0118
Topological Polar Surface Area (TPSA)45.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds0
Exact Mass94.02008 Da
Heavy Atoms5
Complexity35.0
SMILESC(=O)(N)[S-].[NH4+]
InChIKeyPTYONPWKVPLXDZ-UHFFFAOYSA-N

Chemical Property Profile of Carbamothioic acid, ammonium salt (1:1)

XLogP
-0.0118
TPSA (Topological Polar Surface Area)
45.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
5
Complexity
35.0
Exact Mass
94.02008
Monoisotopic Mass
94.02008
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 Carbamothioic acid, ammonium salt (1:1)

The XLogP value of -0.0118 indicates that Carbamothioic acid, ammonium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.1 Ų, Carbamothioic acid, ammonium salt (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, ammonium salt (1:1) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Carbamothioic acid, ammonium salt (1:1)?

The CAS number of Carbamothioic acid, ammonium salt (1:1) is 16687-42-6.

What is the molecular formula of Carbamothioic acid, ammonium salt (1:1)?

The molecular formula of Carbamothioic acid, ammonium salt (1:1) is CH6N2OS.

What is the molecular weight of Carbamothioic acid, ammonium salt (1:1)?

The molecular weight of Carbamothioic acid, ammonium salt (1:1) is 94.02008 g/mol.

Where can I buy Carbamothioic acid, ammonium salt (1:1)?

You can request a quote for Carbamothioic acid, ammonium salt (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Carbamothioic acid, ammonium salt (1:1)?

Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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