1-(2-methylcyclohexyl)-3-prop-2-enylthiourea

C11H20N2S — CID 19652591

IUPAC1-(2-methylcyclohexyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC1CCCCC1C
InChIInChI=1S/C11H20N2S/c1-3-8-12-11(14)13-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H2,12,13,14)
InChIKeyILWQEABBYWFQCN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea

1-(2-methylcyclohexyl)-3-prop-2-enylthiourea (PubChem CID 19652591) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-prop-2-enylthiourea
PubChem CID19652591
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(2-methylcyclohexyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC1CCCCC1C
InChIInChI=1S/C11H20N2S/c1-3-8-12-11(14)13-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H2,12,13,14)
InChIKeyILWQEABBYWFQCN-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-3-cyclohexylthiourea
CID 1599868
1-(2-Ethylhexyl)-3-prop-2-enylthiourea
CID 19651771
1-Prop-2-enyl-3-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]thiourea
CID 21559353
[(1S,2R)-2-methylcyclohexyl]thiourea
CID 93021744
1-(2-Ethyl-6-methylcyclohexyl)-3-(2-methylprop-2-enyl)thiourea
CID 141539816
1-(2,6-Dimethylcyclohexyl)-3-(2-methylprop-2-enyl)thiourea
CID 141539836
1-(2,6-Dimethylcyclohexyl)-3-prop-2-enylthiourea
CID 141539900
3-[(Z)-prop-1-enyl]-4,5,5a,6,7,8,9,9a-octahydro-1H-benzo[d][1,3]diazepine-2-thione
CID 142036994
6-[[(4R)-7-amino-4-methyloctyl]amino]-1H-pyridine-2-thione
CID 174029075
[(Cyclohexylmethyl)amino](prop-2-enylamino)methane-1-thione
CID 4372536
(Cyclohexylmethylamino)(prop-2-enylamino)methane-1-thione
CID 4452790
1-(4-Tert-butylcyclohexyl)-3-prop-2-enylthiourea
CID 17278927

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea (CID 19652591) is 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea is C=CCNC(=S)NC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea?
The InChIKey is ILWQEABBYWFQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-8-12-11(14)13-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H2,12,13,14).
What are the key properties of 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea?
1-(2-methylcyclohexyl)-3-prop-2-enylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 19652591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).