1-cyclohexyl-1,3-dimethylthiourea

C9H18N2S — CID 14229904

IUPAC1-cyclohexyl-1,3-dimethylthiourea
SMILESCNC(=S)N(C)C1CCCCC1
InChIInChI=1S/C9H18N2S/c1-10-9(12)11(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyRWUXXNRGXKYVGM-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.76
Rot. Bonds1

About 1-cyclohexyl-1,3-dimethylthiourea

1-cyclohexyl-1,3-dimethylthiourea (PubChem CID 14229904) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclohexyl-1,3-dimethylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-1,3-dimethylthiourea
PubChem CID14229904
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-cyclohexyl-1,3-dimethylthiourea
SMILESCNC(=S)N(C)C1CCCCC1
InChIInChI=1S/C9H18N2S/c1-10-9(12)11(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyRWUXXNRGXKYVGM-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.76
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
Cyclohexylthiourea
CID 1471603
N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
N-cyclohexyl-N'-[2-(dimethylamino)ethyl]thiourea
CID 2207101
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1,3-(Dihexyl)thiourea
CID 2801208
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3-dimethylthiourea?
The IUPAC name of 1-cyclohexyl-1,3-dimethylthiourea (CID 14229904) is 1-cyclohexyl-1,3-dimethylthiourea.
What is the SMILES notation for 1-cyclohexyl-1,3-dimethylthiourea?
The canonical SMILES for 1-cyclohexyl-1,3-dimethylthiourea is CNC(=S)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,3-dimethylthiourea?
The InChIKey is RWUXXNRGXKYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-10-9(12)11(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1-cyclohexyl-1,3-dimethylthiourea?
1-cyclohexyl-1,3-dimethylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3-dimethylthiourea is sourced from PubChem (CID 14229904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).