1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea

C14H15ClN2S2 — CID 3413685

IUPAC1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESCc1cc(Cl)ccc1NC(=S)NCCc1cccs1
InChIInChI=1S/C14H15ClN2S2/c1-10-9-11(15)4-5-13(10)17-14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyABYUJWIJJQISQQ-UHFFFAOYSA-N
MW310.88 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea

1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea (PubChem CID 3413685) has the molecular formula C14H15ClN2S2 and a molecular weight of 310.88 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea
PubChem CID3413685
Molecular FormulaC14H15ClN2S2
Molecular Weight310.88 g/mol
Exact Mass310.04
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESCc1cc(Cl)ccc1NC(=S)NCCc1cccs1
InChIInChI=1S/C14H15ClN2S2/c1-10-9-11(15)4-5-13(10)17-14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyABYUJWIJJQISQQ-UHFFFAOYSA-N
XLogP4.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 5019399
3-(4-chloro-2-methylphenyl)-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 4616878
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
1-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3456142
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(4-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiourea
CID 4669221
1-[(2-bromophenyl)methyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3482975
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349188

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea (CID 3413685) is 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea is Cc1cc(Cl)ccc1NC(=S)NCCc1cccs1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea?
The InChIKey is ABYUJWIJJQISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S2/c1-10-9-11(15)4-5-13(10)17-14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea?
1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea has a molecular weight of 310.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(2-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 3413685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).