2-chloro-4-(furan-2-yl)benzenecarbothioamide

C11H8ClNOS — CID 168528701

IUPAC2-chloro-4-(furan-2-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C11H8ClNOS/c12-9-6-7(10-2-1-5-14-10)3-4-8(9)11(13)15/h1-6H,(H2,13,15)
InChIKeyKBOHSQSYKRELKH-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-4-(furan-2-yl)benzenecarbothioamide

2-chloro-4-(furan-2-yl)benzenecarbothioamide (PubChem CID 168528701) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-yl)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-4-(furan-2-yl)benzenecarbothioamide
PubChem CID168528701
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name2-chloro-4-(furan-2-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C11H8ClNOS/c12-9-6-7(10-2-1-5-14-10)3-4-8(9)11(13)15/h1-6H,(H2,13,15)
InChIKeyKBOHSQSYKRELKH-UHFFFAOYSA-N
XLogP3.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
2-chloro-4-fluorobenzenecarbothioamide
CID 46779076
2-chlorobenzenecarbothioamide
CID 139147259
2-(3,5-dichlorophenyl)furan
CID 11557556
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
2-(3,4-dichlorophenyl)-5-(furan-2-yl)-1,3-benzoxazole
CID 168527045
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
2-chloro-N-[6-(furan-2-yl)quinazolin-2-yl]-4-methoxybenzamide
CID 175274623
N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 168527698
2-(3-chloro-4-propoxyphenyl)furan
CID 168525179
2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
CID 168527146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-yl)benzenecarbothioamide?
The IUPAC name of 2-chloro-4-(furan-2-yl)benzenecarbothioamide (CID 168528701) is 2-chloro-4-(furan-2-yl)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-4-(furan-2-yl)benzenecarbothioamide?
The canonical SMILES for 2-chloro-4-(furan-2-yl)benzenecarbothioamide is NC(=S)c1ccc(-c2ccco2)cc1Cl.
What is the InChIKey of 2-chloro-4-(furan-2-yl)benzenecarbothioamide?
The InChIKey is KBOHSQSYKRELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-9-6-7(10-2-1-5-14-10)3-4-8(9)11(13)15/h1-6H,(H2,13,15).
What are the key properties of 2-chloro-4-(furan-2-yl)benzenecarbothioamide?
2-chloro-4-(furan-2-yl)benzenecarbothioamide has a molecular weight of 237.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-yl)benzenecarbothioamide is sourced from PubChem (CID 168528701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).