1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea

C14H13ClN2OS — CID 23737685

IUPAC1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea
SMILESOCc1ccccc1NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-11-6-2-4-8-13(11)17-14(19)16-12-7-3-1-5-10(12)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeySXVSDEYJHBZSLD-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea

1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea (PubChem CID 23737685) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea
PubChem CID23737685
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea
SMILESOCc1ccccc1NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-11-6-2-4-8-13(11)17-14(19)16-12-7-3-1-5-10(12)9-18/h1-8,18H,9H2,(H2,16,17,19)
InChIKeySXVSDEYJHBZSLD-UHFFFAOYSA-N
XLogP3.64
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.64
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

2-[(2-chlorophenyl)carbamothioylamino]benzenethiolate
CID 6932852
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
1-[2-(hydroxymethyl)phenyl]-3-pyridin-3-ylthiourea
CID 718371
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
3-chloro-N-[[2-(hydroxymethyl)phenyl]carbamothioyl]benzamide
CID 56697396
1-(2-chlorophenyl)-3-cyanothiourea
CID 11769784
1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
CID 19650053
1-(2-chlorophenyl)-3-(2,2,2-trifluoroethylamino)thiourea
CID 134100877
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(2-butylphenyl)-3-(2,5-dichlorophenyl)thiourea
CID 17299089
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea (CID 23737685) is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea is OCc1ccccc1NC(=S)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea?
The InChIKey is SXVSDEYJHBZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-6-2-4-8-13(11)17-14(19)16-12-7-3-1-5-10(12)9-18/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea?
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea has a molecular weight of 292.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea is sourced from PubChem (CID 23737685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).