1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea

C11H13ClN2S — CID 116509252

IUPAC1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
SMILESCc1cccc(Cl)c1NC(=S)NC1CC1
InChIInChI=1S/C11H13ClN2S/c1-7-3-2-4-9(12)10(7)14-11(15)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H2,13,14,15)
InChIKeyZWBXPIBTFDOUPK-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.10
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea

1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea (PubChem CID 116509252) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
PubChem CID116509252
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea
SMILESCc1cccc(Cl)c1NC(=S)NC1CC1
InChIInChI=1S/C11H13ClN2S/c1-7-3-2-4-9(12)10(7)14-11(15)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H2,13,14,15)
InChIKeyZWBXPIBTFDOUPK-UHFFFAOYSA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
CID 116510369
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
1-(2,6-dichlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8657490
1-(2,6-dichlorophenyl)-3-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]thiourea
CID 23027095
1-(2-chloro-6-methylphenyl)-3-pyridin-2-ylthiourea
CID 10683964
2,2-dichloro-N-[(2-chloro-6-methylphenyl)carbamothioyl]-1-methylcyclopropane-1-carboxamide
CID 110190348
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-(3-chloro-2-hydroxyphenyl)-3-cyclohexylthiourea
CID 87656204
4-tert-butyl-N-[(2-chloro-6-methylphenyl)carbamothioyl]benzamide
CID 53371904
1-(2-chloro-6-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3275137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea (CID 116509252) is 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea is Cc1cccc(Cl)c1NC(=S)NC1CC1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea?
The InChIKey is ZWBXPIBTFDOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-7-3-2-4-9(12)10(7)14-11(15)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea?
1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea has a molecular weight of 240.76 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-cyclopropylthiourea is sourced from PubChem (CID 116509252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).