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

C17H20N2OS — CID 17074218

IUPAC1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
SMILESCC(C)COc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyGBAYXNXVUGHPGI-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.53
Rot. Bonds5

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

1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea (PubChem CID 17074218) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
PubChem CID17074218
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
SMILESCC(C)COc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyGBAYXNXVUGHPGI-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

1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 4940469
1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
CID 3426180
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17074348
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-[[3-chloro-4-(2-methylpropoxy)phenyl]methyl]-3-phenylthiourea
CID 823221
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17074414
(E)-3-(4-methoxyphenyl)-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17074370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea (CID 17074218) is 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea is CC(C)COc1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea?
The InChIKey is GBAYXNXVUGHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea?
1-[2-(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-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea is sourced from PubChem (CID 17074218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).