1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea

C15H22N2S — CID 4646958

IUPAC1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyHYAVOECSBHXBNB-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.29
Rot. Bonds3

About 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea

1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea (PubChem CID 4646958) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea
PubChem CID4646958
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2S/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyHYAVOECSBHXBNB-UHFFFAOYSA-N
XLogP3.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibenzylthiourea
CID 838375
N-(Phenylmethyl)thiourea
CID 737375
Imidazole-2-thiol, 4-phenyl-
CID 1132611
1-Benzyl-3-cyclohexylurea
CID 544877
1-benzyl-1H-imidazole-2-thiol
CID 667838
5-Benzyl-1,3,5-triazinane-2-thione
CID 674806
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
N-methyl-N'-phenethylthiourea
CID 2725299
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080
N-isopropyl-N'-tritylthiourea
CID 2828021
5-Benzyl-1-propyl-1,3,5-triazinane-2-thione
CID 751582
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea (CID 4646958) is 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea is Cc1ccc(CNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea?
The InChIKey is HYAVOECSBHXBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea?
1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea has a molecular weight of 262.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methylphenyl)methyl]thiourea is sourced from PubChem (CID 4646958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).