1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea

C17H20N2OS — CID 4940469

IUPAC1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
SMILESCC(C)COc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-20-16-10-8-15(9-11-16)19-17(21)18-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyCVMSFCDKDIHINL-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.53
Rot. Bonds5

About 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea

1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea (PubChem CID 4940469) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
PubChem CID4940469
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
SMILESCC(C)COc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-20-16-10-8-15(9-11-16)19-17(21)18-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyCVMSFCDKDIHINL-UHFFFAOYSA-N
XLogP4.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-anilinophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937330
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4940733
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 17074218
1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea
CID 99997474
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2-methylpropoxy)phenyl]thiourea
CID 163203512
4-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 43887960
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956992
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea (CID 4940469) is 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea is CC(C)COc1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The InChIKey is CVMSFCDKDIHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)12-20-16-10-8-15(9-11-16)19-17(21)18-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea?
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea has a molecular weight of 300.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea is sourced from PubChem (CID 4940469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).