3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol

C9H9NO2S — CID 130840053

IUPAC3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESNc1c(O)sc2ccc(CO)cc12
InChIInChI=1S/C9H9NO2S/c10-8-6-3-5(4-11)1-2-7(6)13-9(8)12/h1-3,11-12H,4,10H2
InChIKeyGEGKZFIABZXQTF-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.68
Rot. Bonds1

About 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol

3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol (PubChem CID 130840053) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol
PubChem CID130840053
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESNc1c(O)sc2ccc(CO)cc12
InChIInChI=1S/C9H9NO2S/c10-8-6-3-5(4-11)1-2-7(6)13-9(8)12/h1-3,11-12H,4,10H2
InChIKeyGEGKZFIABZXQTF-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-3-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130901154
2-amino-4-(hydroxymethyl)phenol
CID 12000270
[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol
CID 121268320
5-(chloromethyl)-2-methoxy-1-benzothiophen-3-amine
CID 131053815
[2-chloro-3-(2-methylphenyl)-1-benzothiophen-5-yl]methanol
CID 131986209
(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
[3-(2-chlorophenyl)-1-benzothiophen-5-yl]methanol
CID 131986199
5-(hydroxymethyl)-3-(2-methylphenyl)-1-benzothiophene-2-carbonitrile
CID 131986399
2-(5-amino-2-hydroxy-1-benzothiophen-3-yl)acetonitrile
CID 131096751
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
(4-amino-3-iodophenyl)methanol
CID 22724559

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The IUPAC name of 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol (CID 130840053) is 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol.
What is the SMILES notation for 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The canonical SMILES for 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol is Nc1c(O)sc2ccc(CO)cc12.
What is the InChIKey of 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The InChIKey is GEGKZFIABZXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c10-8-6-3-5(4-11)1-2-7(6)13-9(8)12/h1-3,11-12H,4,10H2.
What are the key properties of 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol?
3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol has a molecular weight of 195.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(hydroxymethyl)-1-benzothiophen-2-ol is sourced from PubChem (CID 130840053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).