5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine

C10H13NS — CID 143987850

IUPAC5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
SMILESC=C(C)C1=C(C(=C)C)SCC=N1
InChIInChI=1S/C10H13NS/c1-7(2)9-10(8(3)4)12-6-5-11-9/h5H,1,3,6H2,2,4H3
InChIKeyPDGZQTGXDXVNJR-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds2

About 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine

5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine (PubChem CID 143987850) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine.

Molecular Properties

Compound Name5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
PubChem CID143987850
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
SMILESC=C(C)C1=C(C(=C)C)SCC=N1
InChIInChI=1S/C10H13NS/c1-7(2)9-10(8(3)4)12-6-5-11-9/h5H,1,3,6H2,2,4H3
InChIKeyPDGZQTGXDXVNJR-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
CID 89470417
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CID 121416106
2-methyl-N-(2-methyl-4-propan-2-ylsulfanylpenta-1,3-dien-3-yl)prop-2-en-1-imine
CID 123342814
3-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-3,6-dihydro-2H-1,4-thiazine
CID 137427588
9-Thia-6-azatricyclo[8.4.0.02,5]tetradeca-1(10),2(5),3,6,13-pentaene
CID 140206250
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
N-[1-(3,4-dihydro-2H-thiopyran-6-yl)ethenyl]prop-2-en-1-imine;ethane
CID 143157766
3,3-dimethyl-8,9-dihydro-6H-thiopyrano[4,3-b]azepine
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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine?
The IUPAC name of 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine (CID 143987850) is 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine.
What is the SMILES notation for 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine?
The canonical SMILES for 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine is C=C(C)C1=C(C(=C)C)SCC=N1.
What is the InChIKey of 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine?
The InChIKey is PDGZQTGXDXVNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7(2)9-10(8(3)4)12-6-5-11-9/h5H,1,3,6H2,2,4H3.
What are the key properties of 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine?
5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine has a molecular weight of 179.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine is sourced from PubChem (CID 143987850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).