4-ethylbenzenesulfonothioamide

C8H11NOS2 — CID 154167373

IUPAC4-ethylbenzenesulfonothioamide
SMILESCCc1ccc(S(N)(=O)=S)cc1
InChIInChI=1S/C8H11NOS2/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyYJDRPCBSFBISDB-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.23
Rot. Bonds2

About 4-ethylbenzenesulfonothioamide

4-ethylbenzenesulfonothioamide (PubChem CID 154167373) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 4-ethylbenzenesulfonothioamide.

Molecular Properties

Compound Name4-ethylbenzenesulfonothioamide
PubChem CID154167373
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name4-ethylbenzenesulfonothioamide
SMILESCCc1ccc(S(N)(=O)=S)cc1
InChIInChI=1S/C8H11NOS2/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyYJDRPCBSFBISDB-UHFFFAOYSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylsulfonylbenzene
CID 143759723
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
(4-ethylphenyl)sulfonylformonitrile
CID 117036973
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
1,4-diethylbenzene;oxoalumane
CID 174317758
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
CID 117036131

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzenesulfonothioamide?
The IUPAC name of 4-ethylbenzenesulfonothioamide (CID 154167373) is 4-ethylbenzenesulfonothioamide.
What is the SMILES notation for 4-ethylbenzenesulfonothioamide?
The canonical SMILES for 4-ethylbenzenesulfonothioamide is CCc1ccc(S(N)(=O)=S)cc1.
What is the InChIKey of 4-ethylbenzenesulfonothioamide?
The InChIKey is YJDRPCBSFBISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11).
What are the key properties of 4-ethylbenzenesulfonothioamide?
4-ethylbenzenesulfonothioamide has a molecular weight of 201.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzenesulfonothioamide is sourced from PubChem (CID 154167373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).