(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol

C10H10OS3 — CID 130857326

IUPAC(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1cc(S)c(CO)c2ccsc12
InChIInChI=1S/C10H10OS3/c1-13-9-4-8(12)7(5-11)6-2-3-14-10(6)9/h2-4,11-12H,5H2,1H3
InChIKeyQWFJBDUZGIUTNZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.40
Rot. Bonds2

About (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol

(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 130857326) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID130857326
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1cc(S)c(CO)c2ccsc12
InChIInChI=1S/C10H10OS3/c1-13-9-4-8(12)7(5-11)6-2-3-14-10(6)9/h2-4,11-12H,5H2,1H3
InChIKeyQWFJBDUZGIUTNZ-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130821394
(6-methylsulfanyl-4-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130944101
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130985925
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol
CID 130913391
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140
4-methylsulfanyl-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130970953
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213

Frequently Asked Questions

What is the IUPAC name of (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol (CID 130857326) is (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol is CSc1cc(S)c(CO)c2ccsc12.
What is the InChIKey of (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is QWFJBDUZGIUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-13-9-4-8(12)7(5-11)6-2-3-14-10(6)9/h2-4,11-12H,5H2,1H3.
What are the key properties of (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol?
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol has a molecular weight of 242.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130857326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).