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

C6H9NS — CID 141035957

IUPAC2,4-dimethyl-2H-1,3-thiazine
SMILESCC1=NC(C)SC=C1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-4,6H,1-2H3
InChIKeyDPHAHKZETCTUTF-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds

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

2,4-dimethyl-2H-1,3-thiazine (PubChem CID 141035957) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2,4-dimethyl-2H-1,3-thiazine.

Molecular Properties

Compound Name2,4-dimethyl-2H-1,3-thiazine
PubChem CID141035957
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2,4-dimethyl-2H-1,3-thiazine
SMILESCC1=NC(C)SC=C1
InChIInChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-4,6H,1-2H3
InChIKeyDPHAHKZETCTUTF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylthiophen-3-imine
CID 19384798
5-Methyl-6-methylidene-2,3-dihydro-1,4-thiazine
CID 22952949
1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine
CID 123231255
4-methyl-2H-1,3-thiazine
CID 123627160
(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
CID 138478171
6-Methyl-2-methylsulfanyl-2,3-dihydropyridine
CID 163749334
N-methyl-2,3-dihydrothiopyran-4-imine
CID 173505818
N-(methylsulfanylmethyl)but-3-en-2-imine
CID 173860192
N-methylthiophen-3-imine
CID 145323687

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2H-1,3-thiazine?
The IUPAC name of 2,4-dimethyl-2H-1,3-thiazine (CID 141035957) is 2,4-dimethyl-2H-1,3-thiazine.
What is the SMILES notation for 2,4-dimethyl-2H-1,3-thiazine?
The canonical SMILES for 2,4-dimethyl-2H-1,3-thiazine is CC1=NC(C)SC=C1.
What is the InChIKey of 2,4-dimethyl-2H-1,3-thiazine?
The InChIKey is DPHAHKZETCTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-4-8-6(2)7-5/h3-4,6H,1-2H3.
What are the key properties of 2,4-dimethyl-2H-1,3-thiazine?
2,4-dimethyl-2H-1,3-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2H-1,3-thiazine is sourced from PubChem (CID 141035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).