2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine

C5H9NS2 — CID 2782081

IUPAC2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCSC1=NCCCS1
InChIInChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2-4H2,1H3
InChIKeyFLLBHYISJYFGJV-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.84
Rot. Bonds

About 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine

2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 2782081) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID2782081
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine
SMILESCSC1=NCCCS1
InChIInChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2-4H2,1H3
InChIKeyFLLBHYISJYFGJV-UHFFFAOYSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine (CID 2782081) is 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine is CSC1=NCCCS1.
What is the InChIKey of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is FLLBHYISJYFGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine?
2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 147.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 2782081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).