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

C7H6ClNO3S — CID 89478548

IUPAC(5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid
SMILESO=CCN(C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-5-1-2-6(13-5)9(3-4-10)7(11)12/h1-2,4H,3H2,(H,11,12)
InChIKeyKRLBTHHYEOGYLP-UHFFFAOYSA-N
MW219.65 g/mol
LogP2.08
Rot. Bonds3

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

(5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid (PubChem CID 89478548) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid
PubChem CID89478548
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name(5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid
SMILESO=CCN(C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-5-1-2-6(13-5)9(3-4-10)7(11)12/h1-2,4H,3H2,(H,11,12)
InChIKeyKRLBTHHYEOGYLP-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid (CID 89478548) is (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid is O=CCN(C(=O)O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid?
The InChIKey is KRLBTHHYEOGYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-5-1-2-6(13-5)9(3-4-10)7(11)12/h1-2,4H,3H2,(H,11,12).
What are the key properties of (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid?
(5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid has a molecular weight of 219.65 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 89478548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).