(3-chloro-4-methylanilino)thiourea

C8H10ClN3S — CID 3815085

IUPAC(3-chloro-4-methylanilino)thiourea
SMILESCc1ccc(NNC(N)=S)cc1Cl
InChIInChI=1S/C8H10ClN3S/c1-5-2-3-6(4-7(5)9)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13)
InChIKeyVLXGALAZKXDBPL-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.81
Rot. Bonds2

About (3-chloro-4-methylanilino)thiourea

(3-chloro-4-methylanilino)thiourea (PubChem CID 3815085) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is (3-chloro-4-methylanilino)thiourea.

Molecular Properties

Compound Name(3-chloro-4-methylanilino)thiourea
PubChem CID3815085
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name(3-chloro-4-methylanilino)thiourea
SMILESCc1ccc(NNC(N)=S)cc1Cl
InChIInChI=1S/C8H10ClN3S/c1-5-2-3-6(4-7(5)9)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13)
InChIKeyVLXGALAZKXDBPL-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-chloro-4-methylanilino)thiourea 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

4-(3-Chloro-ortho-tolyl)-3-thiosemicarbazide
CID 855076
((3-Chlorophenyl)amino)thiourea
CID 3584968
(3-Chloro-4-methylphenyl)hydrazine
CID 292017
(4-Chloro-2-methylanilino)thiourea
CID 2826085
(5-Chloro-2-methylphenyl)hydrazine
CID 408927
(3-Chloro-4-methylphenyl)hydrazine monohydrochloride
CID 3085075
1-(3-Chloro-4-methyl-anilino)-4-methyl-5-phenyl-imidazole-2-thiol
CID 3006081
(3-Chloro-2-methylphenyl)hydrazine
CID 702863
N-(3-Chloro-4-methylphenyl)hydrazinecarbothioamide
CID 2757699
(3-Chloro-2-methylphenyl)hydrazine hydrochloride
CID 12732296
2-Chloro-4-hydrazinylbenzonitrile
CID 17820774
(4-Chloro-3-methylphenyl)hydrazine
CID 15546185

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylanilino)thiourea?
The IUPAC name of (3-chloro-4-methylanilino)thiourea (CID 3815085) is (3-chloro-4-methylanilino)thiourea.
What is the SMILES notation for (3-chloro-4-methylanilino)thiourea?
The canonical SMILES for (3-chloro-4-methylanilino)thiourea is Cc1ccc(NNC(N)=S)cc1Cl.
What is the InChIKey of (3-chloro-4-methylanilino)thiourea?
The InChIKey is VLXGALAZKXDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-5-2-3-6(4-7(5)9)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13).
What are the key properties of (3-chloro-4-methylanilino)thiourea?
(3-chloro-4-methylanilino)thiourea has a molecular weight of 215.71 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylanilino)thiourea is sourced from PubChem (CID 3815085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).