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

C10H11NOS — CID 130788851

IUPAC(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc2c(N)cc(CO)cc2s1
InChIInChI=1S/C10H11NOS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4,12H,5,11H2,1H3
InChIKeyDXMRHYOHGUCDRX-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds1

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

(4-amino-2-methyl-1-benzothiophen-6-yl)methanol (PubChem CID 130788851) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (4-amino-2-methyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
PubChem CID130788851
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
SMILESCc1cc2c(N)cc(CO)cc2s1
InChIInChI=1S/C10H11NOS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4,12H,5,11H2,1H3
InChIKeyDXMRHYOHGUCDRX-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (4-amino-2-methyl-1-benzothiophen-6-yl)methanol (CID 130788851) is (4-amino-2-methyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (4-amino-2-methyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (4-amino-2-methyl-1-benzothiophen-6-yl)methanol is Cc1cc2c(N)cc(CO)cc2s1.
What is the InChIKey of (4-amino-2-methyl-1-benzothiophen-6-yl)methanol?
The InChIKey is DXMRHYOHGUCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4,12H,5,11H2,1H3.
What are the key properties of (4-amino-2-methyl-1-benzothiophen-6-yl)methanol?
(4-amino-2-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 (4-amino-2-methyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130788851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).