2,4-dimethyl-6H-1,3-thiazine

C6H9NS — CID 142168975

IUPAC2,4-dimethyl-6H-1,3-thiazine
SMILESCC1=CCSC(C)=N1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3H,4H2,1-2H3
InChIKeyVHOFBPIQHNRYHY-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.06
Rot. Bonds

About 2,4-dimethyl-6H-1,3-thiazine

2,4-dimethyl-6H-1,3-thiazine (PubChem CID 142168975) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2,4-dimethyl-6H-1,3-thiazine.

Molecular Properties

Compound Name2,4-dimethyl-6H-1,3-thiazine
PubChem CID142168975
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2,4-dimethyl-6H-1,3-thiazine
SMILESCC1=CCSC(C)=N1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3H,4H2,1-2H3
InChIKeyVHOFBPIQHNRYHY-UHFFFAOYSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylsulfanyl-5-methyl-2H-1,4-thiazine
CID 21818220
4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine
CID 143430190
2-Methyl-4-methylidene-1,3-thiazole
CID 57618313
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole
CID 88886489
(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole
CID 88886499
methyl N-[(Z)-but-2-en-2-yl]ethanimidothioate
CID 88997219
methyl N-prop-1-en-2-ylethanimidothioate
CID 89049845
1-But-2-enyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 90686965
2,4,5-Trimethyl-1-prop-2-enyl-1,3-thiazol-1-ium
CID 90932149
Ethane;2-methyl-4-methylidene-1,3-thiazole
CID 123577981
ethyl 3-methyl-N-prop-1-en-2-ylbut-2-enimidothioate
CID 123678324
ethyl N-prop-1-en-2-ylethanimidothioate
CID 138528238

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6H-1,3-thiazine?
The IUPAC name of 2,4-dimethyl-6H-1,3-thiazine (CID 142168975) is 2,4-dimethyl-6H-1,3-thiazine.
What is the SMILES notation for 2,4-dimethyl-6H-1,3-thiazine?
The canonical SMILES for 2,4-dimethyl-6H-1,3-thiazine is CC1=CCSC(C)=N1.
What is the InChIKey of 2,4-dimethyl-6H-1,3-thiazine?
The InChIKey is VHOFBPIQHNRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-6H-1,3-thiazine?
2,4-dimethyl-6H-1,3-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6H-1,3-thiazine is sourced from PubChem (CID 142168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).