1-(2-chlorophenyl)-3-nonylthiourea

C16H25ClN2S — CID 19651087

IUPAC1-(2-chlorophenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C16H25ClN2S/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13H2,1H3,(H2,18,19,20)
InChIKeyGNXWNYHSRZLRKY-UHFFFAOYSA-N
MW312.91 g/mol
LogP5.38
Rot. Bonds9

About 1-(2-chlorophenyl)-3-nonylthiourea

1-(2-chlorophenyl)-3-nonylthiourea (PubChem CID 19651087) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-nonylthiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-nonylthiourea
PubChem CID19651087
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC Name1-(2-chlorophenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C16H25ClN2S/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13H2,1H3,(H2,18,19,20)
InChIKeyGNXWNYHSRZLRKY-UHFFFAOYSA-N
XLogP5.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.91
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-nonylthiourea 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-2-methylphenyl)-3-dodecylthiourea
CID 19651379
1-(3-chloro-2-methylphenyl)-3-heptylthiourea
CID 19650849
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
1-(2,5-dichlorophenyl)-3-heptylthiourea
CID 19650844
1-(2,4-dichlorophenyl)-3-octylthiourea
CID 17262672
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
1-[2-chloro-4-(hexylcarbamothioylamino)phenyl]-3-hexylthiourea
CID 20787837
1-(4-bromo-2-chlorophenyl)-3-octylthiourea
CID 19651039
1-(4-bromo-2-chlorophenyl)-3-undecylthiourea
CID 19651304
1-(2-bromo-3-chlorophenyl)-3-butylthiourea
CID 103478734
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-nonylthiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-nonylthiourea (CID 19651087) is 1-(2-chlorophenyl)-3-nonylthiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-nonylthiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-nonylthiourea is CCCCCCCCCNC(=S)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-nonylthiourea?
The InChIKey is GNXWNYHSRZLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-nonylthiourea?
1-(2-chlorophenyl)-3-nonylthiourea has a molecular weight of 312.91 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-nonylthiourea is sourced from PubChem (CID 19651087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).