3-ethylsulfanyl-2H-1,4-thiazine

C6H9NS2 — CID 21433842

IUPAC3-ethylsulfanyl-2H-1,4-thiazine
SMILESCCSC1=NC=CSC1
InChIInChI=1S/C6H9NS2/c1-2-9-6-5-8-4-3-7-6/h3-4H,2,5H2,1H3
InChIKeyXHOCGKKVQXSDLB-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.36
Rot. Bonds1

About 3-ethylsulfanyl-2H-1,4-thiazine

3-ethylsulfanyl-2H-1,4-thiazine (PubChem CID 21433842) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 3-ethylsulfanyl-2H-1,4-thiazine.

Molecular Properties

Compound Name3-ethylsulfanyl-2H-1,4-thiazine
PubChem CID21433842
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name3-ethylsulfanyl-2H-1,4-thiazine
SMILESCCSC1=NC=CSC1
InChIInChI=1S/C6H9NS2/c1-2-9-6-5-8-4-3-7-6/h3-4H,2,5H2,1H3
InChIKeyXHOCGKKVQXSDLB-UHFFFAOYSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2H-1,4-thiazine?
The IUPAC name of 3-ethylsulfanyl-2H-1,4-thiazine (CID 21433842) is 3-ethylsulfanyl-2H-1,4-thiazine.
What is the SMILES notation for 3-ethylsulfanyl-2H-1,4-thiazine?
The canonical SMILES for 3-ethylsulfanyl-2H-1,4-thiazine is CCSC1=NC=CSC1.
What is the InChIKey of 3-ethylsulfanyl-2H-1,4-thiazine?
The InChIKey is XHOCGKKVQXSDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-2-9-6-5-8-4-3-7-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethylsulfanyl-2H-1,4-thiazine?
3-ethylsulfanyl-2H-1,4-thiazine has a molecular weight of 159.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2H-1,4-thiazine is sourced from PubChem (CID 21433842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).