(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol

C10H9ClOS2 — CID 130985401

IUPAC(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc2cc(Cl)sc2c1CO
InChIInChI=1S/C10H9ClOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5H2,1H3
InChIKeySELVWZKBVUDEQF-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.77
Rot. Bonds2

About (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol

(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol (PubChem CID 130985401) has the molecular formula C10H9ClOS2 and a molecular weight of 244.77 g/mol. Its IUPAC name is (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
PubChem CID130985401
Molecular FormulaC10H9ClOS2
Molecular Weight244.77 g/mol
Exact Mass243.98
IUPAC Name(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc2cc(Cl)sc2c1CO
InChIInChI=1S/C10H9ClOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5H2,1H3
InChIKeySELVWZKBVUDEQF-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 131076195
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
2-chloro-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130877269
(2-chloro-6-fluoro-3-methylsulfanylphenyl)methanol
CID 171367252
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130821394
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
2-(chloromethyl)-7-iodo-6-methylsulfanyl-1-benzothiophene
CID 130870721
7-bromo-2-chloro-6-ethyl-1-benzothiophene
CID 131215627
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
CID 131124401
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol (CID 130985401) is (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol is CSc1ccc2cc(Cl)sc2c1CO.
What is the InChIKey of (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The InChIKey is SELVWZKBVUDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5H2,1H3.
What are the key properties of (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol has a molecular weight of 244.77 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130985401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).