1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea

C12H18N2OS — CID 8615053

IUPAC1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
SMILESCCc1ccc(NC(=S)NC[C@@H](C)O)cc1
InChIInChI=1S/C12H18N2OS/c1-3-10-4-6-11(7-5-10)14-12(16)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyDBRVKZMVFXNSGC-SECBINFHSA-N
MW238.36 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea

1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea (PubChem CID 8615053) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
PubChem CID8615053
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
SMILESCCc1ccc(NC(=S)NC[C@@H](C)O)cc1
InChIInChI=1S/C12H18N2OS/c1-3-10-4-6-11(7-5-10)14-12(16)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyDBRVKZMVFXNSGC-SECBINFHSA-N
XLogP1.92
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-[2-[di(propan-2-yl)amino]ethyl]-3-(4-ethylphenyl)thiourea
CID 8659730
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
CID 75416918
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-ethylphenyl)thiourea
CID 8615986
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611547

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea (CID 8615053) is 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea is CCc1ccc(NC(=S)NC[C@@H](C)O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The InChIKey is DBRVKZMVFXNSGC-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-10-4-6-11(7-5-10)14-12(16)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea has a molecular weight of 238.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea is sourced from PubChem (CID 8615053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).