1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea

C14H20N2S2 — CID 5063592

IUPAC1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea
SMILESCSc1ccccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H20N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,15,16,17)
InChIKeyOMGWTYQQOSNJHG-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.03
Rot. Bonds3

About 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea

1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea (PubChem CID 5063592) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea
PubChem CID5063592
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea
SMILESCSc1ccccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H20N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,15,16,17)
InChIKeyOMGWTYQQOSNJHG-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-1-phenylthiourea
CID 3034183
1-Cyclohexyl-3-phenyl-2-thiourea
CID 766306
Thiourea, N-(1-methylpropyl)-N'-phenyl-
CID 2826863
Thiourea, N-(3-(methylthio)phenyl)-
CID 2731100
1-Hexyl-3-phenyl-2-thiourea
CID 2759282
N-Methyl-2-(methylsulfanyl)aniline
CID 12707653
Thiourea, N-(1-methylethyl)-N'-phenyl-
CID 2759508
1-{2-[(4-Methylphenyl)sulfanyl]ethyl}-3-phenylthiourea
CID 2172121
1-Butyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2356658
N-(3-methoxypropyl)-N'-[3-(methylthio)phenyl]thiourea
CID 2725136
4-[sec-butyl(methyl)amino]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide
CID 3482053
4-[cyclopentyl(methyl)amino]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide
CID 4114048

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea (CID 5063592) is 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea is CSc1ccccc1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea?
The InChIKey is OMGWTYQQOSNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea?
1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea has a molecular weight of 280.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylsulfanylphenyl)thiourea is sourced from PubChem (CID 5063592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).