2-amino-3,5-dichlorobenzenecarbothioamide

C7H6Cl2N2S — CID 5384826

IUPAC2-amino-3,5-dichlorobenzenecarbothioamide
SMILESNC(=S)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C7H6Cl2N2S/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyTZRCZJAHHHDJIP-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.21
Rot. Bonds1

About 2-amino-3,5-dichlorobenzenecarbothioamide

2-amino-3,5-dichlorobenzenecarbothioamide (PubChem CID 5384826) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 2-amino-3,5-dichlorobenzenecarbothioamide.

Molecular Properties

Compound Name2-amino-3,5-dichlorobenzenecarbothioamide
PubChem CID5384826
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name2-amino-3,5-dichlorobenzenecarbothioamide
SMILESNC(=S)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C7H6Cl2N2S/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyTZRCZJAHHHDJIP-UHFFFAOYSA-N
XLogP2.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3,5-dichlorobenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3,5-dichloro-N-methylbenzenecarbothioamide
CID 141324772
2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 122583229
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
2,3,4,5-tetrachlorobenzenecarbothioamide
CID 54290257
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
3,5-dichlorobenzene-1,2-diamine;dihydrochloride
CID 17385558
2-amino-3,5-dichloro-N-(2,6-dimethylphenyl)benzamide
CID 1479317
5-chloro-2-(2-chloroanilino)benzenecarbothioamide
CID 55223289
(2,4,6-trichlorophenyl)thiourea
CID 2731098
2-bromo-4,5-dichlorobenzenecarbothioamide
CID 134588977
2-chlorobenzenecarbothioamide
CID 139147259
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dichlorobenzenecarbothioamide?
The IUPAC name of 2-amino-3,5-dichlorobenzenecarbothioamide (CID 5384826) is 2-amino-3,5-dichlorobenzenecarbothioamide.
What is the SMILES notation for 2-amino-3,5-dichlorobenzenecarbothioamide?
The canonical SMILES for 2-amino-3,5-dichlorobenzenecarbothioamide is NC(=S)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 2-amino-3,5-dichlorobenzenecarbothioamide?
The InChIKey is TZRCZJAHHHDJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H2,11,12).
What are the key properties of 2-amino-3,5-dichlorobenzenecarbothioamide?
2-amino-3,5-dichlorobenzenecarbothioamide has a molecular weight of 221.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dichlorobenzenecarbothioamide is sourced from PubChem (CID 5384826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).