(4-chloro-3-methylphenyl)thiourea

C8H9ClN2S — CID 88635123

IUPAC(4-chloro-3-methylphenyl)thiourea
SMILESCc1cc(NC(N)=S)ccc1Cl
InChIInChI=1S/C8H9ClN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)
InChIKeyWTLDKNFYCKOJBG-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.30
Rot. Bonds1

About (4-chloro-3-methylphenyl)thiourea

(4-chloro-3-methylphenyl)thiourea (PubChem CID 88635123) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)thiourea.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)thiourea
PubChem CID88635123
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name(4-chloro-3-methylphenyl)thiourea
SMILESCc1cc(NC(N)=S)ccc1Cl
InChIInChI=1S/C8H9ClN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)
InChIKeyWTLDKNFYCKOJBG-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chloro-3-methylphenyl)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

1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
(3-fluoro-4-methylphenyl)thiourea
CID 7131234
1-amino-3-(4-chloro-3-methylphenyl)-1-methylurea
CID 178164527
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
(4-bromo-3,5-dimethylphenyl)thiourea
CID 50880536
[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
CID 134113307
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
[3-chloro-4-(trifluoromethyl)phenyl]thiourea
CID 152709194
(3-chlorophenyl)thiourea
CID 2734794
[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]thiourea
CID 169357129
1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
CID 153024468

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)thiourea?
The IUPAC name of (4-chloro-3-methylphenyl)thiourea (CID 88635123) is (4-chloro-3-methylphenyl)thiourea.
What is the SMILES notation for (4-chloro-3-methylphenyl)thiourea?
The canonical SMILES for (4-chloro-3-methylphenyl)thiourea is Cc1cc(NC(N)=S)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)thiourea?
The InChIKey is WTLDKNFYCKOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (4-chloro-3-methylphenyl)thiourea?
(4-chloro-3-methylphenyl)thiourea has a molecular weight of 200.69 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)thiourea is sourced from PubChem (CID 88635123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).