2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine

C12H13NS — CID 154624208

IUPAC2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine
SMILESC=CC1=C(C=C)SC2C=CC=CC2N1
InChIInChI=1S/C12H13NS/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9/h3-8,10,12-13H,1-2H2
InChIKeyBFDDISVGQXNORZ-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.77
Rot. Bonds2

About 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine

2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine (PubChem CID 154624208) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine
PubChem CID154624208
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine
SMILESC=CC1=C(C=C)SC2C=CC=CC2N1
InChIInChI=1S/C12H13NS/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9/h3-8,10,12-13H,1-2H2
InChIKeyBFDDISVGQXNORZ-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5-tetrahydro-2H-1,4-benzothiazine
CID 21873687
3,4,6,7-tetrahydro-2H-1,4-benzothiazine
CID 57902842
5,6,7,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 66658462
3,3-Dimethyl-2,4,4a,5-tetrahydro-1,4-benzothiazine
CID 66765765
3,3a,4,5-tetrahydro-2H-thieno[3,2-b]azepine
CID 68703920
3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine
CID 69235985
2,5,6,7,8,9-Hexahydrothiopyrano[3,2-b]azepine
CID 70557524
2,3,4,5,6,7-Hexahydrothiopyrano[3,2-b]azepine
CID 70557525
4a,5-dihydro-1H-thiopyrano[4,3-c]isoquinoline
CID 87327246
3,4,4a,5-tetrahydro-1H-thiopyrano[4,3-c]isoquinoline
CID 87328920
4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 89427517
2-Methyl-2,3,6,7-tetrahydro-1,3-benzothiazole
CID 121486631

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine?
The IUPAC name of 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine (CID 154624208) is 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine.
What is the SMILES notation for 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine?
The canonical SMILES for 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine is C=CC1=C(C=C)SC2C=CC=CC2N1.
What is the InChIKey of 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine?
The InChIKey is BFDDISVGQXNORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9/h3-8,10,12-13H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine?
2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine has a molecular weight of 203.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine is sourced from PubChem (CID 154624208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).