(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol

C9H7FOS2 — CID 130854599

IUPAC(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(S)cc(F)cc2s1
InChIInChI=1S/C9H7FOS2/c10-5-1-8(12)7-3-6(4-11)13-9(7)2-5/h1-3,11-12H,4H2
InChIKeyBGCHPWQYDHKOPT-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.82
Rot. Bonds1

About (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol

(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 130854599) has the molecular formula C9H7FOS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID130854599
Molecular FormulaC9H7FOS2
Molecular Weight214.29 g/mol
Exact Mass213.99
IUPAC Name(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(S)cc(F)cc2s1
InChIInChI=1S/C9H7FOS2/c10-5-1-8(12)7-3-6(4-11)13-9(7)2-5/h1-3,11-12H,4H2
InChIKeyBGCHPWQYDHKOPT-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.82
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

2-(hydroxymethyl)-4-sulfanyl-1-benzothiophene-6-carbonitrile
CID 131214285
2-amino-6-fluoro-1-benzothiophene-4-thiol
CID 130816475
(4-chloro-6-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130792451
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
(5-fluoro-1-benzothiophen-2-yl)methanol
CID 36995594
(4-iodo-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131123417
2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
CID 130971703
(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
(4,6-difluoro-1-benzothiophen-2-yl)methyl acetate
CID 18691611
[15-(hydroxymethyl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methanol
CID 69098040
(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol
CID 131080320
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol (CID 130854599) is (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol is OCc1cc2c(S)cc(F)cc2s1.
What is the InChIKey of (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is BGCHPWQYDHKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS2/c10-5-1-8(12)7-3-6(4-11)13-9(7)2-5/h1-3,11-12H,4H2.
What are the key properties of (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol?
(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130854599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).