4-Ethylsulfanyl-2,3-dihydroazete

C5H9NS — CID 19911804

IUPAC4-ethylsulfanyl-2,3-dihydroazete
SMILESCCSC1=NCC1
InChIInChI=1S/C5H9NS/c1-2-7-5-3-4-6-5/h2-4H2,1H3
InChIKeyAQYBWXXBGRBTET-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.60
Rot. Bonds2

About 4-Ethylsulfanyl-2,3-dihydroazete

4-Ethylsulfanyl-2,3-dihydroazete (PubChem CID 19911804) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 4-ethylsulfanyl-2,3-dihydroazete.

Molecular Properties

Compound Name4-Ethylsulfanyl-2,3-dihydroazete
PubChem CID19911804
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name4-ethylsulfanyl-2,3-dihydroazete
SMILESCCSC1=NCC1
InChIInChI=1S/C5H9NS/c1-2-7-5-3-4-6-5/h2-4H2,1H3
InChIKeyAQYBWXXBGRBTET-UHFFFAOYSA-N
XLogP0.60
TPSA37.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity88

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-sec-Butyl-4,5-dihydrothiazole
CID 162148
Thiazole, 4-ethyl-4,5-dihydro-2-methyl-
CID 107254
2,5-Dihydro-2,4,5-trimethylthiazoline
CID 263626
Thiazole, 4,5-dihydro-2,5-dimethyl-
CID 97852
2-Ethyl-4,5-dihydrothiazole
CID 86896
2-Isopropyl-4,5-dihydrothiazole
CID 206245
Thiazole, 4,5-dihydro-2-butyl-
CID 206597
2-Ethyl-4,5-dihydro-5-methylthiazole
CID 205800
Thiazole, 4,5-dihydro-2-propyl-
CID 211465
4H-1,3-Thiazine, 5,6-dihydro-2-ethyl-
CID 206595
4H-1,3-Thiazine, 5,6-dihydro-2-propyl-
CID 206596
Thiazole, 4,5-dihydro-2-pentyl-
CID 210383

Frequently Asked Questions

What is the IUPAC name of 4-Ethylsulfanyl-2,3-dihydroazete?
The IUPAC name of 4-Ethylsulfanyl-2,3-dihydroazete (CID 19911804) is 4-ethylsulfanyl-2,3-dihydroazete.
What is the SMILES notation for 4-Ethylsulfanyl-2,3-dihydroazete?
The canonical SMILES for 4-Ethylsulfanyl-2,3-dihydroazete is CCSC1=NCC1.
What is the InChIKey of 4-Ethylsulfanyl-2,3-dihydroazete?
The InChIKey is AQYBWXXBGRBTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-2-7-5-3-4-6-5/h2-4H2,1H3.
What are the key properties of 4-Ethylsulfanyl-2,3-dihydroazete?
4-Ethylsulfanyl-2,3-dihydroazete has a molecular weight of 115.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethylsulfanyl-2,3-dihydroazete is sourced from PubChem (CID 19911804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).