1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea

C10H15N3S2 — CID 2731350

IUPAC1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea
SMILESCSc1cccc(NC(=S)NN(C)C)c1
InChIInChI=1S/C10H15N3S2/c1-13(2)12-10(14)11-8-5-4-6-9(7-8)15-3/h4-7H,1-3H3,(H2,11,12,14)
InChIKeyJSKOILIRFYTSGV-UHFFFAOYSA-N
MW241.39 g/mol
LogP2.17
Rot. Bonds3

About 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea

1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea (PubChem CID 2731350) has the molecular formula C10H15N3S2 and a molecular weight of 241.39 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea
PubChem CID2731350
Molecular FormulaC10H15N3S2
Molecular Weight241.39 g/mol
Exact Mass241.07
IUPAC Name1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea
SMILESCSc1cccc(NC(=S)NN(C)C)c1
InChIInChI=1S/C10H15N3S2/c1-13(2)12-10(14)11-8-5-4-6-9(7-8)15-3/h4-7H,1-3H3,(H2,11,12,14)
InChIKeyJSKOILIRFYTSGV-UHFFFAOYSA-N
XLogP2.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiourea, N-(3-(methylthio)phenyl)-
CID 2731100
1,1-Dimethyl-4-phenylthiosemicarbazide
CID 3034493
N-(3-methoxypropyl)-N'-[3-(methylthio)phenyl]thiourea
CID 2725136
4-[sec-butyl(methyl)amino]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide
CID 3482053
N-(4-fluorophenyl)-N'-[3-(methylthio)phenyl]thiourea
CID 2731254
N-(4-(Methylthio)phenyl)thiourea
CID 1471597
1-[Methyl(prop-2-enyl)amino]-3-phenylthiourea
CID 3143319
N1-[3-(methylthio)phenyl]-2-methylhydrazine-1-carbothioamide
CID 2731357
Semicarbazide, 1,1-dimethyl-4-(p-(methylthio)phenyl)-3-thio-
CID 3004640
4-[isopropyl(methyl)amino]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide
CID 3452632
4-[butyl(methyl)amino]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide
CID 4295975
N-(4-methylthiophenyl)hydrazinecarbothioamide
CID 28934715

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea?
The IUPAC name of 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea (CID 2731350) is 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea.
What is the SMILES notation for 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea?
The canonical SMILES for 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea is CSc1cccc(NC(=S)NN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea?
The InChIKey is JSKOILIRFYTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-13(2)12-10(14)11-8-5-4-6-9(7-8)15-3/h4-7H,1-3H3,(H2,11,12,14).
What are the key properties of 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea?
1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea has a molecular weight of 241.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-methylsulfanylphenyl)thiourea is sourced from PubChem (CID 2731350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).