2,5-dimethyl-2H-1,3-thiazine

C6H9NS — CID 143985702

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

About 2,5-dimethyl-2H-1,3-thiazine

2,5-dimethyl-2H-1,3-thiazine (PubChem CID 143985702) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2,5-dimethyl-2H-1,3-thiazine.

Molecular Properties

Compound Name2,5-dimethyl-2H-1,3-thiazine
PubChem CID143985702
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2,5-dimethyl-2H-1,3-thiazine
SMILESCC1=CSC(C)N=C1
InChIInChI=1S/C6H9NS/c1-5-3-7-6(2)8-4-5/h3-4,6H,1-2H3
InChIKeyVCBLQBRJXUGFAR-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-methyl-2-(2-methylprop-1-enylsulfanyl)prop-2-en-1-imine
CID 91360224
2,5-dimethyl-2H-1,3-thiazine;ethane
CID 143985701

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2H-1,3-thiazine?
The IUPAC name of 2,5-dimethyl-2H-1,3-thiazine (CID 143985702) is 2,5-dimethyl-2H-1,3-thiazine.
What is the SMILES notation for 2,5-dimethyl-2H-1,3-thiazine?
The canonical SMILES for 2,5-dimethyl-2H-1,3-thiazine is CC1=CSC(C)N=C1.
What is the InChIKey of 2,5-dimethyl-2H-1,3-thiazine?
The InChIKey is VCBLQBRJXUGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-7-6(2)8-4-5/h3-4,6H,1-2H3.
What are the key properties of 2,5-dimethyl-2H-1,3-thiazine?
2,5-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 2,5-dimethyl-2H-1,3-thiazine is sourced from PubChem (CID 143985702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).