4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole

C7H4ClNS3 — CID 83156010

IUPAC4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
SMILESClc1csc(Sc2cccs2)n1
InChIInChI=1S/C7H4ClNS3/c8-5-4-11-7(9-5)12-6-2-1-3-10-6/h1-4H
InChIKeyWAGMSAVZZNKLTO-UHFFFAOYSA-N
MW233.77 g/mol
LogP4.01
Rot. Bonds2

About 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole

4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole (PubChem CID 83156010) has the molecular formula C7H4ClNS3 and a molecular weight of 233.77 g/mol. Its IUPAC name is 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
PubChem CID83156010
Molecular FormulaC7H4ClNS3
Molecular Weight233.77 g/mol
Exact Mass232.92
IUPAC Name4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
SMILESClc1csc(Sc2cccs2)n1
InChIInChI=1S/C7H4ClNS3/c8-5-4-11-7(9-5)12-6-2-1-3-10-6/h1-4H
InChIKeyWAGMSAVZZNKLTO-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole (CID 83156010) is 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole is Clc1csc(Sc2cccs2)n1.
What is the InChIKey of 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole?
The InChIKey is WAGMSAVZZNKLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNS3/c8-5-4-11-7(9-5)12-6-2-1-3-10-6/h1-4H.
What are the key properties of 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole?
4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole has a molecular weight of 233.77 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 83156010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).