(3-amino-4-methyl-1-benzothiophen-6-yl)methanol

C10H11NOS — CID 130788761

IUPAC(3-amino-4-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc(CO)cc2scc(N)c12
InChIInChI=1S/C10H11NOS/c1-6-2-7(4-12)3-9-10(6)8(11)5-13-9/h2-3,5,12H,4,11H2,1H3
InChIKeyUDVOMAUQVXCROA-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds1

About (3-amino-4-methyl-1-benzothiophen-6-yl)methanol

(3-amino-4-methyl-1-benzothiophen-6-yl)methanol (PubChem CID 130788761) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (3-amino-4-methyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-methyl-1-benzothiophen-6-yl)methanol
PubChem CID130788761
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(3-amino-4-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc(CO)cc2scc(N)c12
InChIInChI=1S/C10H11NOS/c1-6-2-7(4-12)3-9-10(6)8(11)5-13-9/h2-3,5,12H,4,11H2,1H3
InChIKeyUDVOMAUQVXCROA-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (3-amino-4-methyl-1-benzothiophen-6-yl)methanol (CID 130788761) is (3-amino-4-methyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (3-amino-4-methyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (3-amino-4-methyl-1-benzothiophen-6-yl)methanol is Cc1cc(CO)cc2scc(N)c12.
What is the InChIKey of (3-amino-4-methyl-1-benzothiophen-6-yl)methanol?
The InChIKey is UDVOMAUQVXCROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-2-7(4-12)3-9-10(6)8(11)5-13-9/h2-3,5,12H,4,11H2,1H3.
What are the key properties of (3-amino-4-methyl-1-benzothiophen-6-yl)methanol?
(3-amino-4-methyl-1-benzothiophen-6-yl)methanol has a molecular weight of 193.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130788761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).