(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol

C10H11NOS2 — CID 130870472

IUPAC(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1cc(N)cc2sc(CO)cc12
InChIInChI=1S/C10H11NOS2/c1-13-9-2-6(11)3-10-8(9)4-7(5-12)14-10/h2-4,12H,5,11H2,1H3
InChIKeyWSQXXEOAGNCNCS-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

About (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol

(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol (PubChem CID 130870472) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
PubChem CID130870472
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
SMILESCSc1cc(N)cc2sc(CO)cc12
InChIInChI=1S/C10H11NOS2/c1-13-9-2-6(11)3-10-8(9)4-7(5-12)14-10/h2-4,12H,5,11H2,1H3
InChIKeyWSQXXEOAGNCNCS-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'}

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Related Compounds

2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine
CID 130816730
(7-fluoro-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131145556
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130951650
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
(6-fluoro-4-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130854599
(6-chloro-4-ethyl-1-benzothiophen-2-yl)methanol
CID 131080320
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-6-amine
CID 130884983
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712
2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
CID 130898343

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol (CID 130870472) is (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol is CSc1cc(N)cc2sc(CO)cc12.
What is the InChIKey of (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
The InChIKey is WSQXXEOAGNCNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-9-2-6(11)3-10-8(9)4-7(5-12)14-10/h2-4,12H,5,11H2,1H3.
What are the key properties of (6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol?
(6-amino-4-methylsulfanyl-1-benzothiophen-2-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-4-methylsulfanyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130870472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).