1-(3-hydroxypropyl)-3-phenylthiourea

C10H14N2OS — CID 2063437

IUPAC1-(3-hydroxypropyl)-3-phenylthiourea
SMILESOCCCNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2OS/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,11,12,14)
InChIKeyTZFQXYNRNGJOJH-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.36
Rot. Bonds4

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

1-(3-hydroxypropyl)-3-phenylthiourea (PubChem CID 2063437) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-phenylthiourea
PubChem CID2063437
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(3-hydroxypropyl)-3-phenylthiourea
SMILESOCCCNC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N2OS/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,11,12,14)
InChIKeyTZFQXYNRNGJOJH-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-phenylthiourea?
The IUPAC name of 1-(3-hydroxypropyl)-3-phenylthiourea (CID 2063437) is 1-(3-hydroxypropyl)-3-phenylthiourea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-phenylthiourea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-phenylthiourea is OCCCNC(=S)Nc1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-phenylthiourea?
The InChIKey is TZFQXYNRNGJOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H2,11,12,14).
What are the key properties of 1-(3-hydroxypropyl)-3-phenylthiourea?
1-(3-hydroxypropyl)-3-phenylthiourea has a molecular weight of 210.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-phenylthiourea is sourced from PubChem (CID 2063437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).