(5-chlorothiophen-2-yl)carbamic acid

C5H4ClNO2S — CID 69255462

IUPAC(5-chlorothiophen-2-yl)carbamic acid
SMILESO=C(O)Nc1ccc(Cl)s1
InChIInChI=1S/C5H4ClNO2S/c6-3-1-2-4(10-3)7-5(8)9/h1-2,7H,(H,8,9)
InChIKeyANKGJKLJBUGSLC-UHFFFAOYSA-N
MW177.61 g/mol
LogP2.49
Rot. Bonds1

About (5-chlorothiophen-2-yl)carbamic acid

(5-chlorothiophen-2-yl)carbamic acid (PubChem CID 69255462) has the molecular formula C5H4ClNO2S and a molecular weight of 177.61 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)carbamic acid
PubChem CID69255462
Molecular FormulaC5H4ClNO2S
Molecular Weight177.61 g/mol
Exact Mass176.97
IUPAC Name(5-chlorothiophen-2-yl)carbamic acid
SMILESO=C(O)Nc1ccc(Cl)s1
InChIInChI=1S/C5H4ClNO2S/c6-3-1-2-4(10-3)7-5(8)9/h1-2,7H,(H,8,9)
InChIKeyANKGJKLJBUGSLC-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)carbamic acid?
The IUPAC name of (5-chlorothiophen-2-yl)carbamic acid (CID 69255462) is (5-chlorothiophen-2-yl)carbamic acid.
What is the SMILES notation for (5-chlorothiophen-2-yl)carbamic acid?
The canonical SMILES for (5-chlorothiophen-2-yl)carbamic acid is O=C(O)Nc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)carbamic acid?
The InChIKey is ANKGJKLJBUGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S/c6-3-1-2-4(10-3)7-5(8)9/h1-2,7H,(H,8,9).
What are the key properties of (5-chlorothiophen-2-yl)carbamic acid?
(5-chlorothiophen-2-yl)carbamic acid has a molecular weight of 177.61 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)carbamic acid is sourced from PubChem (CID 69255462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).