5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine

C6H9NS — CID 22952949

IUPAC5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine
SMILESC=C1SCCN=C1C
InChIInChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h2-4H2,1H3
InChIKeyAUMGINAMECMDBX-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.71
Rot. Bonds

About 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine

5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine (PubChem CID 22952949) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine
PubChem CID22952949
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine
SMILESC=C1SCCN=C1C
InChIInChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h2-4H2,1H3
InChIKeyAUMGINAMECMDBX-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylthiophen-3-imine
CID 19384798
3,6-dimethyl-2H-1,4-thiazine
CID 123161431
2,4-dimethyl-2H-1,3-thiazine
CID 141035957
N-methyl-2,3-dihydrothiopyran-4-imine
CID 173505818
6-ethyl-3-methyl-2H-1,4-thiazine
CID 144726988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine?
The IUPAC name of 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine (CID 22952949) is 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine is C=C1SCCN=C1C.
What is the InChIKey of 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine?
The InChIKey is AUMGINAMECMDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h2-4H2,1H3.
What are the key properties of 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine?
5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 22952949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).