1-ethyl-3-(4-methylphenyl)sulfonylthiourea

C10H14N2O2S2 — CID 914066

IUPAC1-ethyl-3-(4-methylphenyl)sulfonylthiourea
SMILESCCNC(=S)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14N2O2S2/c1-3-11-10(15)12-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12,15)
InChIKeyQKXAKHONQHLDJH-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.17
Rot. Bonds3

About 1-ethyl-3-(4-methylphenyl)sulfonylthiourea

1-ethyl-3-(4-methylphenyl)sulfonylthiourea (PubChem CID 914066) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylphenyl)sulfonylthiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-methylphenyl)sulfonylthiourea
PubChem CID914066
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name1-ethyl-3-(4-methylphenyl)sulfonylthiourea
SMILESCCNC(=S)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H14N2O2S2/c1-3-11-10(15)12-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12,15)
InChIKeyQKXAKHONQHLDJH-UHFFFAOYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-Ethyl-p-toluenesulfonamide
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Tolbutamide Sodium
CID 23690448
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
N-Propyl-p-toluenesulfonamide
CID 70808
p-Toluenesulfonamide, N-isobutyl-
CID 101310
Coceth-25
CID 71393049
4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
CID 297877
N-(2-Aminoethyl)-4-methylbenzenesulfonamide
CID 301318
N-(Ethylcarbamoyl)-4-methylbenzene-1-sulfonamide
CID 4248131

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylphenyl)sulfonylthiourea?
The IUPAC name of 1-ethyl-3-(4-methylphenyl)sulfonylthiourea (CID 914066) is 1-ethyl-3-(4-methylphenyl)sulfonylthiourea.
What is the SMILES notation for 1-ethyl-3-(4-methylphenyl)sulfonylthiourea?
The canonical SMILES for 1-ethyl-3-(4-methylphenyl)sulfonylthiourea is CCNC(=S)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-3-(4-methylphenyl)sulfonylthiourea?
The InChIKey is QKXAKHONQHLDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-3-11-10(15)12-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-ethyl-3-(4-methylphenyl)sulfonylthiourea?
1-ethyl-3-(4-methylphenyl)sulfonylthiourea has a molecular weight of 258.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylphenyl)sulfonylthiourea is sourced from PubChem (CID 914066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).