(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

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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).