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

C5H9NS2 — CID 21416561

IUPAC2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine
SMILESCSC1NCC=CS1
InChIInChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2,4-6H,3H2,1H3
InChIKeyJUTUGYDEGJPTOF-UHFFFAOYSA-N
MW147.27 g/mol
LogP1.48
Rot. Bonds1

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

2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine (PubChem CID 21416561) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine
PubChem CID21416561
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine
SMILESCSC1NCC=CS1
InChIInChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2,4-6H,3H2,1H3
InChIKeyJUTUGYDEGJPTOF-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-2h-1,3-thiazine-2-thione
CID 13828939
3,4-dihydro-2H-1,3-thiazine
CID 19905276
2-Methylidene-3,4-dihydro-1,3-thiazine
CID 59114551
(E)-N-methyl-3-methylsulfanylprop-2-en-1-amine
CID 90299362
N-ethyl-3-methylsulfanylprop-2-en-1-amine
CID 91016985
Ethane;2-methylidene-3,4-dihydro-1,3-thiazine
CID 91487228
2-methyl-3,4-dihydro-2H-1,3-thiazine
CID 123686569
3-ethylsulfanyl-N-methylprop-2-en-1-amine
CID 123873113
N-(1-ethylsulfanylethenyl)prop-2-en-1-amine
CID 130242977
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-amine
CID 135189328
N-methyl-1-propylsulfanylprop-2-en-1-amine
CID 138721745
6-methyl-3,4-dihydro-2H-1,3-thiazine
CID 141308701

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine (CID 21416561) is 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine is CSC1NCC=CS1.
What is the InChIKey of 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine?
The InChIKey is JUTUGYDEGJPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2,4-6H,3H2,1H3.
What are the key properties of 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine?
2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine has a molecular weight of 147.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 21416561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).