(3-chlorothiophen-2-yl)methylcarbamic acid

C6H6ClNO2S — CID 130345010

IUPAC(3-chlorothiophen-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1sccc1Cl
InChIInChI=1S/C6H6ClNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyCVLQAAAJRYKCGY-UHFFFAOYSA-N
MW191.64 g/mol
LogP2.17
Rot. Bonds2

About (3-chlorothiophen-2-yl)methylcarbamic acid

(3-chlorothiophen-2-yl)methylcarbamic acid (PubChem CID 130345010) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)methylcarbamic acid
PubChem CID130345010
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name(3-chlorothiophen-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1sccc1Cl
InChIInChI=1S/C6H6ClNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyCVLQAAAJRYKCGY-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
1-(2-chloro-4-fluorophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032127
(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 100697175
2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline
CID 112749366
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
CID 23072664

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)methylcarbamic acid?
The IUPAC name of (3-chlorothiophen-2-yl)methylcarbamic acid (CID 130345010) is (3-chlorothiophen-2-yl)methylcarbamic acid.
What is the SMILES notation for (3-chlorothiophen-2-yl)methylcarbamic acid?
The canonical SMILES for (3-chlorothiophen-2-yl)methylcarbamic acid is O=C(O)NCc1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)methylcarbamic acid?
The InChIKey is CVLQAAAJRYKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-4-1-2-11-5(4)3-8-6(9)10/h1-2,8H,3H2,(H,9,10).
What are the key properties of (3-chlorothiophen-2-yl)methylcarbamic acid?
(3-chlorothiophen-2-yl)methylcarbamic acid has a molecular weight of 191.64 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)methylcarbamic acid is sourced from PubChem (CID 130345010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).