2-methylsulfanyl-6H-1,3-thiazine

C5H7NS2 — CID 21433841

IUPAC2-methylsulfanyl-6H-1,3-thiazine
SMILESCSC1=NC=CCS1
InChIInChI=1S/C5H7NS2/c1-7-5-6-3-2-4-8-5/h2-3H,4H2,1H3
InChIKeyNSNVAAUTWANDRO-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.97
Rot. Bonds

About 2-methylsulfanyl-6H-1,3-thiazine

2-methylsulfanyl-6H-1,3-thiazine (PubChem CID 21433841) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-methylsulfanyl-6H-1,3-thiazine.

Molecular Properties

Compound Name2-methylsulfanyl-6H-1,3-thiazine
PubChem CID21433841
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name2-methylsulfanyl-6H-1,3-thiazine
SMILESCSC1=NC=CCS1
InChIInChI=1S/C5H7NS2/c1-7-5-6-3-2-4-8-5/h2-3H,4H2,1H3
InChIKeyNSNVAAUTWANDRO-UHFFFAOYSA-N
XLogP1.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6H-1,3-thiazine?
The IUPAC name of 2-methylsulfanyl-6H-1,3-thiazine (CID 21433841) is 2-methylsulfanyl-6H-1,3-thiazine.
What is the SMILES notation for 2-methylsulfanyl-6H-1,3-thiazine?
The canonical SMILES for 2-methylsulfanyl-6H-1,3-thiazine is CSC1=NC=CCS1.
What is the InChIKey of 2-methylsulfanyl-6H-1,3-thiazine?
The InChIKey is NSNVAAUTWANDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-7-5-6-3-2-4-8-5/h2-3H,4H2,1H3.
What are the key properties of 2-methylsulfanyl-6H-1,3-thiazine?
2-methylsulfanyl-6H-1,3-thiazine has a molecular weight of 145.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6H-1,3-thiazine is sourced from PubChem (CID 21433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).