(3-methyl-1-benzothiophen-5-yl)carbamic acid

C10H9NO2S — CID 154998144

IUPAC(3-methyl-1-benzothiophen-5-yl)carbamic acid
SMILESCc1csc2ccc(NC(=O)O)cc12
InChIInChI=1S/C10H9NO2S/c1-6-5-14-9-3-2-7(4-8(6)9)11-10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyPWJYRRBEZPLODW-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.30
Rot. Bonds1

About (3-methyl-1-benzothiophen-5-yl)carbamic acid

(3-methyl-1-benzothiophen-5-yl)carbamic acid (PubChem CID 154998144) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-5-yl)carbamic acid.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-5-yl)carbamic acid
PubChem CID154998144
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(3-methyl-1-benzothiophen-5-yl)carbamic acid
SMILESCc1csc2ccc(NC(=O)O)cc12
InChIInChI=1S/C10H9NO2S/c1-6-5-14-9-3-2-7(4-8(6)9)11-10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyPWJYRRBEZPLODW-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzothiophen-5-yl)carbamic acid?
The IUPAC name of (3-methyl-1-benzothiophen-5-yl)carbamic acid (CID 154998144) is (3-methyl-1-benzothiophen-5-yl)carbamic acid.
What is the SMILES notation for (3-methyl-1-benzothiophen-5-yl)carbamic acid?
The canonical SMILES for (3-methyl-1-benzothiophen-5-yl)carbamic acid is Cc1csc2ccc(NC(=O)O)cc12.
What is the InChIKey of (3-methyl-1-benzothiophen-5-yl)carbamic acid?
The InChIKey is PWJYRRBEZPLODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-5-14-9-3-2-7(4-8(6)9)11-10(12)13/h2-5,11H,1H3,(H,12,13).
What are the key properties of (3-methyl-1-benzothiophen-5-yl)carbamic acid?
(3-methyl-1-benzothiophen-5-yl)carbamic acid has a molecular weight of 207.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzothiophen-5-yl)carbamic acid is sourced from PubChem (CID 154998144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).