1-cyclohexyl-1,3,3-trimethylthiourea

C10H20N2S — CID 127514774

IUPAC1-cyclohexyl-1,3,3-trimethylthiourea
SMILESCN(C)C(=S)N(C)C1CCCCC1
InChIInChI=1S/C10H20N2S/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeySCNXSXQUWIZEEZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.10
Rot. Bonds1

About 1-cyclohexyl-1,3,3-trimethylthiourea

1-cyclohexyl-1,3,3-trimethylthiourea (PubChem CID 127514774) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-cyclohexyl-1,3,3-trimethylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-1,3,3-trimethylthiourea
PubChem CID127514774
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-cyclohexyl-1,3,3-trimethylthiourea
SMILESCN(C)C(=S)N(C)C1CCCCC1
InChIInChI=1S/C10H20N2S/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeySCNXSXQUWIZEEZ-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethylzyklohexylthioharnstoff
CID 708395
1-Cyclohexyl-1-ethylthiourea
CID 16782986
1-Hexyl-1,3,3-trimethylthiourea
CID 170458374
1,5-Dicyclohexyl-3-ethyl-1,3,5-triazinane-2-thione
CID 10380651
N-cyclohexyl-N-methylthiourea
CID 12532325
1,3-Dibutyl-5-cyclohexyl-1,3,5-triazinane-2-thione
CID 14070321
(Cyclohexylmethylamino)(methylamino)methane-1-thione
CID 14229904
1-Cyclohexyl-1-[3-(dimethylamino)propyl]thiourea
CID 22220797
1-Cyclohexyl-3-ethyl-1-methylthiourea
CID 52445548
5-Cyclohexyl-1,3-diethyl-1,3,5-triazinane-2-thione
CID 54125163
1,3-Dihexyl-1,3-dimethylthiourea
CID 88496487
3-Cyclohexyl-1-ethyl-1-methylthiourea
CID 91604895

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3,3-trimethylthiourea?
The IUPAC name of 1-cyclohexyl-1,3,3-trimethylthiourea (CID 127514774) is 1-cyclohexyl-1,3,3-trimethylthiourea.
What is the SMILES notation for 1-cyclohexyl-1,3,3-trimethylthiourea?
The canonical SMILES for 1-cyclohexyl-1,3,3-trimethylthiourea is CN(C)C(=S)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,3,3-trimethylthiourea?
The InChIKey is SCNXSXQUWIZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-11(2)10(13)12(3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-1,3,3-trimethylthiourea?
1-cyclohexyl-1,3,3-trimethylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3,3-trimethylthiourea is sourced from PubChem (CID 127514774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).