1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea

C15H15ClN2S — CID 174322403

IUPAC1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea
SMILESNC(=S)N(CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2S/c16-13-7-4-8-14(11-13)18(15(17)19)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,19)
InChIKeyOPWYMGCXGWRISZ-UHFFFAOYSA-N
MW290.82 g/mol
LogP3.63
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea

1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea (PubChem CID 174322403) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea
PubChem CID174322403
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea
SMILESNC(=S)N(CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2S/c16-13-7-4-8-14(11-13)18(15(17)19)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,19)
InChIKeyOPWYMGCXGWRISZ-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,N-bis(2-phenylethyl)aniline
CID 3851845
1,1-bis(3-chlorophenyl)thiourea
CID 18515542
1-amino-1-(3-chlorophenyl)thiourea
CID 13162100
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
1-(3-chlorophenyl)-1-(propan-2-ylideneamino)thiourea
CID 134093218
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
3-bromopropyl-(3-chlorophenyl)carbamic acid
CID 57372411
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea (CID 174322403) is 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea is NC(=S)N(CCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea?
The InChIKey is OPWYMGCXGWRISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c16-13-7-4-8-14(11-13)18(15(17)19)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,17,19).
What are the key properties of 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea?
1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea has a molecular weight of 290.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2-phenylethyl)thiourea is sourced from PubChem (CID 174322403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).