1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea

C16H17ClN2S — CID 8629060

IUPAC1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2S/c1-11-7-3-6-10-15(11)19-16(20)18-12(2)13-8-4-5-9-14(13)17/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyWMAZZHLPEHPEAB-GFCCVEGCSA-N
MW304.85 g/mol
LogP4.70
Rot. Bonds3

About 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea

1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea (PubChem CID 8629060) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
PubChem CID8629060
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2S/c1-11-7-3-6-10-15(11)19-16(20)18-12(2)13-8-4-5-9-14(13)17/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyWMAZZHLPEHPEAB-GFCCVEGCSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
CID 8676014
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-chloro-2-methylphenyl)thiourea
CID 8677480
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-(2-chlorophenyl)-3-[(S)-(2-methylphenyl)-phenylmethyl]thiourea
CID 100657906
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
1-[1-(2-chlorophenyl)ethyl]-3-propylthiourea
CID 115570565
1-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8658658
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea (CID 8629060) is 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea?
The InChIKey is WMAZZHLPEHPEAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-11-7-3-6-10-15(11)19-16(20)18-12(2)13-8-4-5-9-14(13)17/h3-10,12H,1-2H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea?
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea has a molecular weight of 304.85 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8629060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).