1-ethyl-4-(sulfinoamino)benzene

C8H11NO2S — CID 18364308

IUPAC1-ethyl-4-(sulfinoamino)benzene
SMILESCCc1ccc(NS(=O)O)cc1
InChIInChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)9-12(10)11/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyWYMWGFLZLZJJBE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.80
Rot. Bonds3

About 1-ethyl-4-(sulfinoamino)benzene

1-ethyl-4-(sulfinoamino)benzene (PubChem CID 18364308) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-ethyl-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-ethyl-4-(sulfinoamino)benzene
PubChem CID18364308
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name1-ethyl-4-(sulfinoamino)benzene
SMILESCCc1ccc(NS(=O)O)cc1
InChIInChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)9-12(10)11/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyWYMWGFLZLZJJBE-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxy-4-(sulfinoamino)benzene
CID 69101346
CID 91872170
CID 91872170
N,4-diethylaniline
CID 6429431
N-bromo-4-ethylaniline
CID 118307209
1,4-diethylbenzene;oxoalumane
CID 174317758
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
carbon dioxide;1-(chloromethyl)-4-ethylbenzene
CID 160596653

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(sulfinoamino)benzene?
The IUPAC name of 1-ethyl-4-(sulfinoamino)benzene (CID 18364308) is 1-ethyl-4-(sulfinoamino)benzene.
What is the SMILES notation for 1-ethyl-4-(sulfinoamino)benzene?
The canonical SMILES for 1-ethyl-4-(sulfinoamino)benzene is CCc1ccc(NS(=O)O)cc1.
What is the InChIKey of 1-ethyl-4-(sulfinoamino)benzene?
The InChIKey is WYMWGFLZLZJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)9-12(10)11/h3-6,9H,2H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-4-(sulfinoamino)benzene?
1-ethyl-4-(sulfinoamino)benzene has a molecular weight of 185.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(sulfinoamino)benzene is sourced from PubChem (CID 18364308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).