1-propan-2-yl-3-(2-propylphenyl)thiourea

C13H20N2S — CID 115579635

IUPAC1-propan-2-yl-3-(2-propylphenyl)thiourea
SMILESCCCc1ccccc1NC(=S)NC(C)C
InChIInChI=1S/C13H20N2S/c1-4-7-11-8-5-6-9-12(11)15-13(16)14-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H2,14,15,16)
InChIKeyOKKNCVMAAVEMOV-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.33
Rot. Bonds4

About 1-propan-2-yl-3-(2-propylphenyl)thiourea

1-propan-2-yl-3-(2-propylphenyl)thiourea (PubChem CID 115579635) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-propylphenyl)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-propylphenyl)thiourea
PubChem CID115579635
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-propan-2-yl-3-(2-propylphenyl)thiourea
SMILESCCCc1ccccc1NC(=S)NC(C)C
InChIInChI=1S/C13H20N2S/c1-4-7-11-8-5-6-9-12(11)15-13(16)14-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H2,14,15,16)
InChIKeyOKKNCVMAAVEMOV-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.33
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

(2-propylphenyl)carbamodithioic acid
CID 87193127
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 80589899
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
1-pentan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19652324
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-propylphenyl)thiourea?
The IUPAC name of 1-propan-2-yl-3-(2-propylphenyl)thiourea (CID 115579635) is 1-propan-2-yl-3-(2-propylphenyl)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(2-propylphenyl)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(2-propylphenyl)thiourea is CCCc1ccccc1NC(=S)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-(2-propylphenyl)thiourea?
The InChIKey is OKKNCVMAAVEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-4-7-11-8-5-6-9-12(11)15-13(16)14-10(2)3/h5-6,8-10H,4,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-(2-propylphenyl)thiourea?
1-propan-2-yl-3-(2-propylphenyl)thiourea has a molecular weight of 236.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-propylphenyl)thiourea is sourced from PubChem (CID 115579635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).