(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol

C10H11NOS2 — CID 130987910

IUPAC(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1c(N)cc(CO)c2ccsc12
InChIInChI=1S/C10H11NOS2/c1-13-10-8(11)4-6(5-12)7-2-3-14-9(7)10/h2-4,12H,5,11H2,1H3
InChIKeyWCKDPTUECJNMOQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

About (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol

(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 130987910) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID130987910
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
SMILESCSc1c(N)cc(CO)c2ccsc12
InChIInChI=1S/C10H11NOS2/c1-13-10-8(11)4-6(5-12)7-2-3-14-9(7)10/h2-4,12H,5,11H2,1H3
InChIKeyWCKDPTUECJNMOQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (6-amino-7-methylsulfanyl-1-benzothiophen-4-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

(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
5-amino-7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 131059874
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
6-(bromomethyl)-4-(hydroxymethyl)-1-benzothiophen-7-ol
CID 131053577
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412

Frequently Asked Questions

What is the IUPAC name of (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol (CID 130987910) is (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol is CSc1c(N)cc(CO)c2ccsc12.
What is the InChIKey of (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is WCKDPTUECJNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-10-8(11)4-6(5-12)7-2-3-14-9(7)10/h2-4,12H,5,11H2,1H3.
What are the key properties of (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol?
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol has a molecular weight of 225.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130987910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).