(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol

C10H10OS3 — CID 130855375

IUPAC(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1c(S)ccc2sc(CO)cc12
InChIInChI=1S/C10H10OS3/c1-13-10-7-4-6(5-11)14-9(7)3-2-8(10)12/h2-4,11-12H,5H2,1H3
InChIKeyWOMIQHPENPUJGG-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.40
Rot. Bonds2

About (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol

(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 130855375) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID130855375
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1c(S)ccc2sc(CO)cc12
InChIInChI=1S/C10H10OS3/c1-13-10-7-4-6(5-11)14-9(7)3-2-8(10)12/h2-4,11-12H,5H2,1H3
InChIKeyWOMIQHPENPUJGG-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

2-amino-4-methylsulfanyl-1-benzothiophene-5-thiol
CID 130788782
(4-iodo-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131123417
(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130854599
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841
(7-fluoro-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131145556
(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
2-methyl-3-methylsulfanyl-1-benzothiophene-5-thiol
CID 130913392
(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130914899
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
CID 131057252

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol (CID 130855375) is (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol is CSc1c(S)ccc2sc(CO)cc12.
What is the InChIKey of (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is WOMIQHPENPUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-13-10-7-4-6(5-11)14-9(7)3-2-8(10)12/h2-4,11-12H,5H2,1H3.
What are the key properties of (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol?
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-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 (4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130855375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).