3-cyclohexyl-1,1-dimethylthiourea

C9H18N2S — CID 708395

IUPAC3-cyclohexyl-1,1-dimethylthiourea
SMILESCN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyQHVRTRGSAJGAQA-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.76
Rot. Bonds1

About 3-cyclohexyl-1,1-dimethylthiourea

3-cyclohexyl-1,1-dimethylthiourea (PubChem CID 708395) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-dimethylthiourea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-dimethylthiourea
PubChem CID708395
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-cyclohexyl-1,1-dimethylthiourea
SMILESCN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyQHVRTRGSAJGAQA-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
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
CID 2207101
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Butyl-3-cyclopentylthiourea
CID 1975194
1,3-(Dihexyl)thiourea
CID 2801208
1-Cyclohexyl-3-methylthiourea
CID 2725495
1-Cyclopentyl-3-propylthiourea
CID 5039833
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclohexyl-1,3,5-triazinane-2-thione
CID 775005

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-dimethylthiourea?
The IUPAC name of 3-cyclohexyl-1,1-dimethylthiourea (CID 708395) is 3-cyclohexyl-1,1-dimethylthiourea.
What is the SMILES notation for 3-cyclohexyl-1,1-dimethylthiourea?
The canonical SMILES for 3-cyclohexyl-1,1-dimethylthiourea is CN(C)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-dimethylthiourea?
The InChIKey is QHVRTRGSAJGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-cyclohexyl-1,1-dimethylthiourea?
3-cyclohexyl-1,1-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 3-cyclohexyl-1,1-dimethylthiourea is sourced from PubChem (CID 708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).