2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete

C7H11NS — CID 86094509

IUPAC2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete
SMILESC=CC1CC(SCC)=N1
InChIInChI=1S/C7H11NS/c1-3-6-5-7(8-6)9-4-2/h3,6H,1,4-5H2,2H3
InChIKeyRJDWZLZFPBBFQN-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds2

About 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete

2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete (PubChem CID 86094509) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete.

Molecular Properties

Compound Name2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete
PubChem CID86094509
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete
SMILESC=CC1CC(SCC)=N1
InChIInChI=1S/C7H11NS/c1-3-6-5-7(8-6)9-4-2/h3,6H,1,4-5H2,2H3
InChIKeyRJDWZLZFPBBFQN-UHFFFAOYSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3H-thiophen-2-imine
CID 67744151
4-ethyl-2-methyl-4H-1,3-thiazine
CID 126757121
4-methyl-2-propan-2-yl-4H-1,3-thiazine
CID 129200508
ethane;ethyl 2-methyl-N-(4-methylhexa-1,5-dien-3-yl)propanimidothioate
CID 144178674
4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 164106303
2-But-3-enyl-4,5-dihydro-1,3-thiazole
CID 100981418
(4S)-2,4-dimethyl-4H-1,3-thiazine
CID 143909815
ethyl 2-methyl-N-(4-methylhexa-1,5-dien-3-yl)propanimidothioate
CID 144178675

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete?
The IUPAC name of 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete (CID 86094509) is 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete.
What is the SMILES notation for 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete?
The canonical SMILES for 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete is C=CC1CC(SCC)=N1.
What is the InChIKey of 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete?
The InChIKey is RJDWZLZFPBBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6-5-7(8-6)9-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete?
2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete has a molecular weight of 141.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethylsulfanyl-2,3-dihydroazete is sourced from PubChem (CID 86094509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).