2-ethyl-4H-1,4-thiazine

C6H9NS — CID 134213216

IUPAC2-ethyl-4H-1,4-thiazine
SMILESCCC1=CNC=CS1
InChIInChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3
InChIKeyTXBHHZYOLJJTRI-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds1

About 2-ethyl-4H-1,4-thiazine

2-ethyl-4H-1,4-thiazine (PubChem CID 134213216) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-ethyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-ethyl-4H-1,4-thiazine
PubChem CID134213216
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-ethyl-4H-1,4-thiazine
SMILESCCC1=CNC=CS1
InChIInChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3
InChIKeyTXBHHZYOLJJTRI-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methyl-thio)tetrahydropyridine
CID 70438394
2-Methylthio-1,4-dihydropyridine
CID 129785197
2-Allylthio-1,4-dihydropyridine
CID 129871638
N-methyl-2-prop-1-enylsulfanylethenamine
CID 60070941
2,3,6,7-Tetrahydro-1,3-thiazepine
CID 67175807
2-methyl-4H-1,4-thiazine
CID 68219736
ethane;3-methylidene-4H-1,4-thiazine
CID 90768991
Ethane;2-methylidene-3,6-dihydro-1,3-thiazine
CID 90824950
5-Ethyl-2,3-dihydro-1,3-thiazole
CID 117713740
(Z)-2-ethenylsulfanyl-N,3-dimethylbut-1-en-1-amine
CID 126626583
(E)-3-(chloromethylsulfanyl)-N-methylbut-1-en-1-amine
CID 129200461
2-(2,2-dimethylpropyl)-4H-1,4-thiazine
CID 129276619

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-1,4-thiazine?
The IUPAC name of 2-ethyl-4H-1,4-thiazine (CID 134213216) is 2-ethyl-4H-1,4-thiazine.
What is the SMILES notation for 2-ethyl-4H-1,4-thiazine?
The canonical SMILES for 2-ethyl-4H-1,4-thiazine is CCC1=CNC=CS1.
What is the InChIKey of 2-ethyl-4H-1,4-thiazine?
The InChIKey is TXBHHZYOLJJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3.
What are the key properties of 2-ethyl-4H-1,4-thiazine?
2-ethyl-4H-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-1,4-thiazine is sourced from PubChem (CID 134213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).