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

C10H10OS2 — CID 130899140

IUPAC(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(CO)cc(S)c2sccc12
InChIInChI=1S/C10H10OS2/c1-6-7(5-11)4-9(12)10-8(6)2-3-13-10/h2-4,11-12H,5H2,1H3
InChIKeyKZIQLKARNYYTIR-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.99
Rot. Bonds1

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

(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol (PubChem CID 130899140) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
PubChem CID130899140
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(CO)cc(S)c2sccc12
InChIInChI=1S/C10H10OS2/c1-6-7(5-11)4-9(12)10-8(6)2-3-13-10/h2-4,11-12H,5H2,1H3
InChIKeyKZIQLKARNYYTIR-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
7-(hydroxymethyl)-5-methyl-1-benzothiophene-4-carbonitrile
CID 130961053
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
4-(bromomethyl)-6-sulfanyl-1-benzothiophen-7-ol
CID 130792426
4,5,7-trimethyl-1-benzothiophene
CID 59646225
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241

Frequently Asked Questions

What is the IUPAC name of (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol?
The IUPAC name of (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol (CID 130899140) is (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol is Cc1c(CO)cc(S)c2sccc12.
What is the InChIKey of (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol?
The InChIKey is KZIQLKARNYYTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-7(5-11)4-9(12)10-8(6)2-3-13-10/h2-4,11-12H,5H2,1H3.
What are the key properties of (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol?
(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130899140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).