(2,4,5-trichloroanilino)thiourea

C7H6Cl3N3S — CID 130154547

IUPAC(2,4,5-trichloroanilino)thiourea
SMILESNC(=S)NNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3N3S/c8-3-1-5(10)6(2-4(3)9)12-13-7(11)14/h1-2,12H,(H3,11,13,14)
InChIKeyJTHWULIQCRJJPD-UHFFFAOYSA-N
MW270.57 g/mol
LogP2.81
Rot. Bonds2

About (2,4,5-trichloroanilino)thiourea

(2,4,5-trichloroanilino)thiourea (PubChem CID 130154547) has the molecular formula C7H6Cl3N3S and a molecular weight of 270.57 g/mol. Its IUPAC name is (2,4,5-trichloroanilino)thiourea.

Molecular Properties

Compound Name(2,4,5-trichloroanilino)thiourea
PubChem CID130154547
Molecular FormulaC7H6Cl3N3S
Molecular Weight270.57 g/mol
Exact Mass268.93
IUPAC Name(2,4,5-trichloroanilino)thiourea
SMILESNC(=S)NNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3N3S/c8-3-1-5(10)6(2-4(3)9)12-13-7(11)14/h1-2,12H,(H3,11,13,14)
InChIKeyJTHWULIQCRJJPD-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.57
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2,4,5-trichloroanilino)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

(2,4,5-trichlorophenyl)hydrazine
CID 1381942
(4-bromo-2,5-dichlorophenyl)thiourea
CID 169356189
(3,5-dimethylanilino)thiourea
CID 82281947
1-chloro-2-(2,4,5-trichlorophenyl)hydrazine;phosphoric acid
CID 174886932
(1E)-2-amino-2-sulfanylidene-N-(2,4,5-trichloroanilino)ethanimidoyl cyanide
CID 5420104
bis([(7-chloroquinolin-4-yl)amino]thiourea);methanol;hydrate
CID 139062073
phosphoric acid;(2,4,5-trichlorophenyl)hydrazine
CID 138619519
4-(2,4,5-trichloroanilino)pyridine-2-carbothioamide
CID 63519381
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
(4-bromo-2-chlorophenyl)thiourea
CID 43168183
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
(5-fluoro-2-propan-2-ylanilino)thiourea
CID 141494726

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichloroanilino)thiourea?
The IUPAC name of (2,4,5-trichloroanilino)thiourea (CID 130154547) is (2,4,5-trichloroanilino)thiourea.
What is the SMILES notation for (2,4,5-trichloroanilino)thiourea?
The canonical SMILES for (2,4,5-trichloroanilino)thiourea is NC(=S)NNc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2,4,5-trichloroanilino)thiourea?
The InChIKey is JTHWULIQCRJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3N3S/c8-3-1-5(10)6(2-4(3)9)12-13-7(11)14/h1-2,12H,(H3,11,13,14).
What are the key properties of (2,4,5-trichloroanilino)thiourea?
(2,4,5-trichloroanilino)thiourea has a molecular weight of 270.57 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichloroanilino)thiourea is sourced from PubChem (CID 130154547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).