1-(2-hydroxypropyl)-3-phenylthiourea

C10H14N2OS — CID 2759335

IUPAC1-(2-hydroxypropyl)-3-phenylthiourea
SMILESCC(O)CNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)
InChIKeyPPGYUMGMHBORBV-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-phenylthiourea

1-(2-hydroxypropyl)-3-phenylthiourea (PubChem CID 2759335) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-phenylthiourea
PubChem CID2759335
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(2-hydroxypropyl)-3-phenylthiourea
SMILESCC(O)CNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)
InChIKeyPPGYUMGMHBORBV-UHFFFAOYSA-N
XLogP1.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.35
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-Allyl-3-phenyl-2-thiourea
CID 1549745
Phenylthiohydantoic acid
CID 3000722
N-(2-Hydroxyethyl)aniline
CID 31235
1-Methyl-3-phenylthiourea
CID 698294
1-(2-Hydroxyethyl)-3-(2,4-xylyl)-2-thiourea
CID 1810978
1-Phenyl-3-propyl-2-thiourea
CID 2760408
Thiourea, N-ethyl-N'-phenyl-
CID 2063659
3-Butyl-1-phenylthiourea
CID 3034183
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(2-hydroxyethyl)-N'-(2-methylphenyl)thiourea
CID 2177721
Thiourea, N-(1-methylpropyl)-N'-phenyl-
CID 2826863
1-Phenyl-3-((tetrahydrofuran-2-yl)methyl)thiourea
CID 2867709

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-phenylthiourea?
The IUPAC name of 1-(2-hydroxypropyl)-3-phenylthiourea (CID 2759335) is 1-(2-hydroxypropyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-phenylthiourea is CC(O)CNC(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-phenylthiourea?
The InChIKey is PPGYUMGMHBORBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxypropyl)-3-phenylthiourea?
1-(2-hydroxypropyl)-3-phenylthiourea has a molecular weight of 210.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-phenylthiourea is sourced from PubChem (CID 2759335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).