1-(2-methylsulfanylphenyl)-3-phenylthiourea

C14H14N2S2 — CID 17281496

IUPAC1-(2-methylsulfanylphenyl)-3-phenylthiourea
SMILESCSc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H14N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyPYTBQAZXUFTWBR-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(2-methylsulfanylphenyl)-3-phenylthiourea

1-(2-methylsulfanylphenyl)-3-phenylthiourea (PubChem CID 17281496) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-phenylthiourea
PubChem CID17281496
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name1-(2-methylsulfanylphenyl)-3-phenylthiourea
SMILESCSc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H14N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17)
InChIKeyPYTBQAZXUFTWBR-UHFFFAOYSA-N
XLogP4.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.22
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-(2-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)thiourea
CID 2207406
1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)thiourea
CID 2956868
1-(3,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 17284844
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
1-(2-ethylsulfanylphenyl)-3-(4-fluorophenyl)thiourea
CID 100641051
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
1-(2,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 19648706
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 17074218
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylthiourea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylthiourea (CID 17281496) is 1-(2-methylsulfanylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-phenylthiourea is CSc1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-phenylthiourea?
The InChIKey is PYTBQAZXUFTWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-18-13-10-6-5-9-12(13)16-14(17)15-11-7-3-2-4-8-11/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-phenylthiourea?
1-(2-methylsulfanylphenyl)-3-phenylthiourea has a molecular weight of 274.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-phenylthiourea is sourced from PubChem (CID 17281496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).