(3-amino-4-methylthiophen-2-yl)methanol

C6H9NOS — CID 141480048

IUPAC(3-amino-4-methylthiophen-2-yl)methanol
SMILESCc1csc(CO)c1N
InChIInChI=1S/C6H9NOS/c1-4-3-9-5(2-8)6(4)7/h3,8H,2,7H2,1H3
InChIKeyKYONWTOHZKFNRO-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.13
Rot. Bonds1

About (3-amino-4-methylthiophen-2-yl)methanol

(3-amino-4-methylthiophen-2-yl)methanol (PubChem CID 141480048) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (3-amino-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-methylthiophen-2-yl)methanol
PubChem CID141480048
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(3-amino-4-methylthiophen-2-yl)methanol
SMILESCc1csc(CO)c1N
InChIInChI=1S/C6H9NOS/c1-4-3-9-5(2-8)6(4)7/h3,8H,2,7H2,1H3
InChIKeyKYONWTOHZKFNRO-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylthiophen-2-yl)methanol?
The IUPAC name of (3-amino-4-methylthiophen-2-yl)methanol (CID 141480048) is (3-amino-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-amino-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-amino-4-methylthiophen-2-yl)methanol is Cc1csc(CO)c1N.
What is the InChIKey of (3-amino-4-methylthiophen-2-yl)methanol?
The InChIKey is KYONWTOHZKFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4-3-9-5(2-8)6(4)7/h3,8H,2,7H2,1H3.
What are the key properties of (3-amino-4-methylthiophen-2-yl)methanol?
(3-amino-4-methylthiophen-2-yl)methanol has a molecular weight of 143.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 141480048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).