1,1-dicyclohexyl-3-methylthiourea

C14H26N2S — CID 3774934

IUPAC1,1-dicyclohexyl-3-methylthiourea
SMILESCNC(=S)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26N2S/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyFCTZHTNDEQBDAJ-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.46
Rot. Bonds2

About 1,1-dicyclohexyl-3-methylthiourea

1,1-dicyclohexyl-3-methylthiourea (PubChem CID 3774934) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-methylthiourea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-methylthiourea
PubChem CID3774934
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1,1-dicyclohexyl-3-methylthiourea
SMILESCNC(=S)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26N2S/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyFCTZHTNDEQBDAJ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicyclohexylthiourea
CID 727200
N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
CID 2207101
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Cyclohexyl-3-methylthiourea
CID 2725495
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclohexyl-1,3,5-triazinane-2-thione
CID 775005
N-cyclohexylpyrrolidine-1-carbothioamide
CID 797677
1-Cyclohexyl-1,3-diazinane-2-thione
CID 2806812
1-Butyl-3-cyclohexylthiourea
CID 2294926

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-methylthiourea?
The IUPAC name of 1,1-dicyclohexyl-3-methylthiourea (CID 3774934) is 1,1-dicyclohexyl-3-methylthiourea.
What is the SMILES notation for 1,1-dicyclohexyl-3-methylthiourea?
The canonical SMILES for 1,1-dicyclohexyl-3-methylthiourea is CNC(=S)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-methylthiourea?
The InChIKey is FCTZHTNDEQBDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 1,1-dicyclohexyl-3-methylthiourea?
1,1-dicyclohexyl-3-methylthiourea has a molecular weight of 254.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-methylthiourea is sourced from PubChem (CID 3774934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).