2-(4-methyl-1,3-thiazol-2-yl)benzenethiol

C10H9NS2 — CID 175175322

IUPAC2-(4-methyl-1,3-thiazol-2-yl)benzenethiol
SMILESCc1csc(-c2ccccc2S)n1
InChIInChI=1S/C10H9NS2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-6,12H,1H3
InChIKeyLGRQMQABZVPHTO-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.41
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol

2-(4-methyl-1,3-thiazol-2-yl)benzenethiol (PubChem CID 175175322) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)benzenethiol
PubChem CID175175322
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)benzenethiol
SMILESCc1csc(-c2ccccc2S)n1
InChIInChI=1S/C10H9NS2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-6,12H,1H3
InChIKeyLGRQMQABZVPHTO-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol (CID 175175322) is 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol is Cc1csc(-c2ccccc2S)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol?
The InChIKey is LGRQMQABZVPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-7-6-13-10(11-7)8-4-2-3-5-9(8)12/h2-6,12H,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol?
2-(4-methyl-1,3-thiazol-2-yl)benzenethiol has a molecular weight of 207.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)benzenethiol is sourced from PubChem (CID 175175322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).