(3-amino-4-chloro-1-benzothiophen-2-yl)methanol

C9H8ClNOS — CID 131030958

IUPAC(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
SMILESNc1c(CO)sc2cccc(Cl)c12
InChIInChI=1S/C9H8ClNOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4,11H2
InChIKeyUIISZBYMGRGRPV-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.63
Rot. Bonds1

About (3-amino-4-chloro-1-benzothiophen-2-yl)methanol

(3-amino-4-chloro-1-benzothiophen-2-yl)methanol (PubChem CID 131030958) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is (3-amino-4-chloro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
PubChem CID131030958
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name(3-amino-4-chloro-1-benzothiophen-2-yl)methanol
SMILESNc1c(CO)sc2cccc(Cl)c12
InChIInChI=1S/C9H8ClNOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4,11H2
InChIKeyUIISZBYMGRGRPV-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
3-amino-2-(chloromethyl)-1-benzothiophen-4-ol
CID 131215373
(4-bromo-3-chloro-1-benzothiophen-2-yl)methanol
CID 130821214
3-amino-4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107855016
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
3-amino-4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 106174302
3,4-dichloro-2-fluoro-1-benzothiophene
CID 130870260
3-amino-4-chloro-N-[1-(dimethylamino)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 82950351
(4-methyl-3-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131196586
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
4-chloro-2-methyl-1-benzothiophen-3-ol
CID 130793528
9-chlorodibenzothiophen-4-ol
CID 166591681

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chloro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-amino-4-chloro-1-benzothiophen-2-yl)methanol (CID 131030958) is (3-amino-4-chloro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-amino-4-chloro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-amino-4-chloro-1-benzothiophen-2-yl)methanol is Nc1c(CO)sc2cccc(Cl)c12.
What is the InChIKey of (3-amino-4-chloro-1-benzothiophen-2-yl)methanol?
The InChIKey is UIISZBYMGRGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c10-5-2-1-3-6-8(5)9(11)7(4-12)13-6/h1-3,12H,4,11H2.
What are the key properties of (3-amino-4-chloro-1-benzothiophen-2-yl)methanol?
(3-amino-4-chloro-1-benzothiophen-2-yl)methanol has a molecular weight of 213.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chloro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 131030958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).