2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol

C9H7ClOS2 — CID 130985425

IUPAC2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc(O)c2sc(Cl)cc2c1
InChIInChI=1S/C9H7ClOS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4,11H,1H3
InChIKeyLBEMNAUKCZGFBL-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.98
Rot. Bonds1

About 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol

2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol (PubChem CID 130985425) has the molecular formula C9H7ClOS2 and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
PubChem CID130985425
Molecular FormulaC9H7ClOS2
Molecular Weight230.74 g/mol
Exact Mass229.96
IUPAC Name2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc(O)c2sc(Cl)cc2c1
InChIInChI=1S/C9H7ClOS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4,11H,1H3
InChIKeyLBEMNAUKCZGFBL-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
CID 131001451
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913
7-chloro-5-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130956451
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 130985401
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
2-chloro-7-nitro-1-benzothiophene-5,6-diol
CID 141328142
2-chloro-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130877269
2,5-dichlorothiophen-3-ol
CID 71437780
2-chloro-5-methyl-1-benzothiophen-7-amine
CID 131034093
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
CID 130913448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol (CID 130985425) is 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol is CSc1cc(O)c2sc(Cl)cc2c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol?
The InChIKey is LBEMNAUKCZGFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClOS2/c1-12-6-2-5-3-8(10)13-9(5)7(11)4-6/h2-4,11H,1H3.
What are the key properties of 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol?
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol has a molecular weight of 230.74 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130985425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).