N-carbamothioyl-2-chlorobenzamide

C8H7ClN2OS — CID 3909253

IUPACN-carbamothioyl-2-chlorobenzamide
SMILESNC(=S)NC(=O)c1ccccc1Cl
InChIInChI=1S/C8H7ClN2OS/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyUROWSAGPOYOHJT-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.31
Rot. Bonds1

About N-carbamothioyl-2-chlorobenzamide

N-carbamothioyl-2-chlorobenzamide (PubChem CID 3909253) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is N-carbamothioyl-2-chlorobenzamide.

Molecular Properties

Compound NameN-carbamothioyl-2-chlorobenzamide
PubChem CID3909253
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC NameN-carbamothioyl-2-chlorobenzamide
SMILESNC(=S)NC(=O)c1ccccc1Cl
InChIInChI=1S/C8H7ClN2OS/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyUROWSAGPOYOHJT-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
CID 6343021
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
2-chlorobenzenecarbothioamide
CID 139147259
2-[(2-chlorobenzoyl)amino]propanediamide
CID 31062751
2-chloro-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 2374505
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
N-(3-aminobenzoyl)-2-chlorobenzamide
CID 91252529
2-chloro-N-sulfamoylbenzamide
CID 54547559
N-carbamothioylbenzamide;naphthalene
CID 20980035
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
[4-[(2-chlorobenzoyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7304437
3,5-dichloro-4-[(2-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 50850073

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-chlorobenzamide?
The IUPAC name of N-carbamothioyl-2-chlorobenzamide (CID 3909253) is N-carbamothioyl-2-chlorobenzamide.
What is the SMILES notation for N-carbamothioyl-2-chlorobenzamide?
The canonical SMILES for N-carbamothioyl-2-chlorobenzamide is NC(=S)NC(=O)c1ccccc1Cl.
What is the InChIKey of N-carbamothioyl-2-chlorobenzamide?
The InChIKey is UROWSAGPOYOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13).
What are the key properties of N-carbamothioyl-2-chlorobenzamide?
N-carbamothioyl-2-chlorobenzamide has a molecular weight of 214.68 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-chlorobenzamide is sourced from PubChem (CID 3909253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).