[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea

C11H16N2OS — CID 174398646

IUPAC[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
SMILESCC(O)[C@H](Cc1ccccc1)NC(N)=S
InChIInChI=1S/C11H16N2OS/c1-8(14)10(13-11(12)15)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H3,12,13,15)/t8?,10-/m0/s1
InChIKeyNVRDIJSTTSJUAD-HTLJXXAVSA-N
MW224.33 g/mol
LogP0.81
Rot. Bonds4

About [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea

[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea (PubChem CID 174398646) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea.

Molecular Properties

Compound Name[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
PubChem CID174398646
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
SMILESCC(O)[C@H](Cc1ccccc1)NC(N)=S
InChIInChI=1S/C11H16N2OS/c1-8(14)10(13-11(12)15)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H3,12,13,15)/t8?,10-/m0/s1
InChIKeyNVRDIJSTTSJUAD-HTLJXXAVSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.81
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-tert-butyl-3-[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
CID 86584431
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
[(1R)-1-phenylethyl]thiourea
CID 696701
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
(2S)-2-amino-N-[(2S,3R,4R,5S)-5-[[(2S)-2-amino-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide
CID 10368652
[(2S,3R,5S)-5-amino-3-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
CID 67409054
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
3-fluoro-4-phenylbutan-2-ol
CID 105433789
2-bromo-3-phenylpropanethioamide
CID 142775087
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
methyl 2-methyl-3-phenylpropanoate
CID 11105919

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea?
The IUPAC name of [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea (CID 174398646) is [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea.
What is the SMILES notation for [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea?
The canonical SMILES for [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea is CC(O)[C@H](Cc1ccccc1)NC(N)=S.
What is the InChIKey of [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea?
The InChIKey is NVRDIJSTTSJUAD-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)10(13-11(12)15)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H3,12,13,15)/t8?,10-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea?
[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea has a molecular weight of 224.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea is sourced from PubChem (CID 174398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).