(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol

C9H10O3S — CID 57072084

IUPAC(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol
SMILESO=S1(=O)CCc2ccc(CO)cc21
InChIInChI=1S/C9H10O3S/c10-6-7-1-2-8-3-4-13(11,12)9(8)5-7/h1-2,5,10H,3-4,6H2
InChIKeyINDODTBDSOAZSC-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.51
Rot. Bonds1

About (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol

(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol (PubChem CID 57072084) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol
PubChem CID57072084
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol
SMILESO=S1(=O)CCc2ccc(CO)cc21
InChIInChI=1S/C9H10O3S/c10-6-7-1-2-8-3-4-13(11,12)9(8)5-7/h1-2,5,10H,3-4,6H2
InChIKeyINDODTBDSOAZSC-UHFFFAOYSA-N
XLogP0.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methanesulfonylphenyl)methanol
CID 22050773
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-Benzothiophen-6-ylmethanol
CID 13540121
Benzo(b)thiophene-3-methanol, 2,3-dihydro-, 1,1-dioxide
CID 119056929
L 640035
CID 127538
Benzo(b)thiophene-3-ol 1,1-dioxide
CID 6454240
(5S)-5-Hydroxy-2,3,4,5-tetrahydro-1lambda6-benzothiepine-1,1-dione
CID 40559816
(4R)-4-hydroxy-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
CID 47003491
5-Hydroxy-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepine-1,1-dione
CID 345959
2-(Methylsulfonyl)-1-(p-tolyl)ethan-1-ol
CID 12153134
2,3-Dihydro-1-benzothiophene-3-ol
CID 23248302
2,3-Dihydrobenzothiophene-2,3-diol
CID 85675935

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol?
The IUPAC name of (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol (CID 57072084) is (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol is O=S1(=O)CCc2ccc(CO)cc21.
What is the InChIKey of (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol?
The InChIKey is INDODTBDSOAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-6-7-1-2-8-3-4-13(11,12)9(8)5-7/h1-2,5,10H,3-4,6H2.
What are the key properties of (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol?
(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol has a molecular weight of 198.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 57072084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).