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Thiazolo[5, 7-[(phenylmethyl)thio]- structure
Fine Chemical

Thiazolo[5, 7-[(phenylmethyl)thio]-

TL;DR: Thiazolo[5, 7-[(phenylmethyl)thio]- (CAS 110973-57-4) is a chemical compound with molecular formula C12H9N3S2 and molecular weight 259.0238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

7-benzylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

Also Known As: THIAZOLOPYRIMIDINE DERIV, MGS-1-B03, Thiazolo[5, 7-[(phenylmethyl)thio]-, 7-benzylmercapto-thiazolo[5,4-d]pyrimidine, 7-benzylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

CAS Number
110973-57-4
Molecular Formula
C12H9N3S2
Molecular Weight
259.0238 g/mol
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Technical Specifications

Molecular FormulaC12H9N3S2
Molecular Weight259.0238 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)92.2 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds3
Exact Mass259.0238 Da
Heavy Atoms17
Complexity246.0
SMILESC1=CC=C(C=C1)CSC2=NC=NC3=C2N=CS3
InChIKeyCLJFPNGGFRACIE-UHFFFAOYSA-N

Chemical Property Profile of Thiazolo[5, 7-[(phenylmethyl)thio]-

XLogP
3.3
TPSA (Topological Polar Surface Area)
92.2
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
17
Complexity
246.0
Exact Mass
259.0238
Monoisotopic Mass
259.0238
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 Thiazolo[5, 7-[(phenylmethyl)thio]-

The XLogP value of 3.3 indicates that Thiazolo[5, 7-[(phenylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolo[5, 7-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, Thiazolo[5, 7-[(phenylmethyl)thio]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Thiazolo[5, 7-[(phenylmethyl)thio]-?

The CAS number of Thiazolo[5, 7-[(phenylmethyl)thio]- is 110973-57-4.

What is the molecular formula of Thiazolo[5, 7-[(phenylmethyl)thio]-?

The molecular formula of Thiazolo[5, 7-[(phenylmethyl)thio]- is C12H9N3S2.

What is the molecular weight of Thiazolo[5, 7-[(phenylmethyl)thio]-?

The molecular weight of Thiazolo[5, 7-[(phenylmethyl)thio]- is 259.0238 g/mol.

Where can I buy Thiazolo[5, 7-[(phenylmethyl)thio]-?

You can request a quote for Thiazolo[5, 7-[(phenylmethyl)thio]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Thiazolo[5, 7-[(phenylmethyl)thio]-?

Yes, CoreyChem provides custom synthesis services for Thiazolo[5, 7-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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