3,6-dimethyl-6H-thiazine

C6H9NS — CID 148599841

IUPAC3,6-dimethyl-6H-thiazine
SMILESCC1=NSC(C)C=C1
InChIInChI=1S/C6H9NS/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3
InChIKeyWUVPOLPJINMMAI-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds

About 3,6-dimethyl-6H-thiazine

3,6-dimethyl-6H-thiazine (PubChem CID 148599841) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3,6-dimethyl-6H-thiazine.

Molecular Properties

Compound Name3,6-dimethyl-6H-thiazine
PubChem CID148599841
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3,6-dimethyl-6H-thiazine
SMILESCC1=NSC(C)C=C1
InChIInChI=1S/C6H9NS/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3
InChIKeyWUVPOLPJINMMAI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methylthiazepine
CID 129819106
3-propan-2-yl-6H-thiazine
CID 20700904
(Z)-4-methyliminopent-2-enethial
CID 129209386
(Z)-N-ethenylsulfanylbut-3-en-2-imine
CID 132011702
3,6,6-Trimethylthiazine
CID 138706723
ethane;(NZ)-N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine
CID 141884401
3-Ethylthiazepine
CID 153968278
N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine
CID 154039467
N-ethenylsulfanylbut-3-en-2-imine
CID 157795702
(Z)-N-sulfidopent-3-en-2-imine
CID 163893877
3,5-dimethyl-6H-thiazine;ethane
CID 165130290
3-Methyl-4,7-dihydrothiazepine
CID 166866124

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6H-thiazine?
The IUPAC name of 3,6-dimethyl-6H-thiazine (CID 148599841) is 3,6-dimethyl-6H-thiazine.
What is the SMILES notation for 3,6-dimethyl-6H-thiazine?
The canonical SMILES for 3,6-dimethyl-6H-thiazine is CC1=NSC(C)C=C1.
What is the InChIKey of 3,6-dimethyl-6H-thiazine?
The InChIKey is WUVPOLPJINMMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-4-6(2)8-7-5/h3-4,6H,1-2H3.
What are the key properties of 3,6-dimethyl-6H-thiazine?
3,6-dimethyl-6H-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 3,6-dimethyl-6H-thiazine is sourced from PubChem (CID 148599841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).