2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane

C16H23NS — CID 142894619

IUPAC2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
SMILESC=CC1=C(C=C)Sc2ccccc2N1.CC.CC
InChIInChI=1S/C12H11NS.2C2H6/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;2*1-2/h3-8,13H,1-2H2;2*1-2H3
InChIKeyNVJNWWGMOSINQO-UHFFFAOYSA-N
MW261.43 g/mol
LogP5.84
Rot. Bonds2

About 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane

2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane (PubChem CID 142894619) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
PubChem CID142894619
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
SMILESC=CC1=C(C=C)Sc2ccccc2N1.CC.CC
InChIInChI=1S/C12H11NS.2C2H6/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;2*1-2/h3-8,13H,1-2H2;2*1-2H3
InChIKeyNVJNWWGMOSINQO-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen
CID 142189141
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
ethane;(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)-4H-1,4-benzothiazin-3-one
CID 91495993
ethane;(2E)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)-4H-1,4-benzothiazin-3-one
CID 91164404
2-methyl-10H-phenothiazine
CID 611628
boric acid;10H-phenothiazine
CID 159987394
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
12-methyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-13-amine
CID 10616877
2-ethenyl-3-[(Z)-3-methylbut-1-enyl]-1,4-benzodithiine
CID 143149796
3-(N-methylanilino)-4H-1,4-benzothiazine-2-carbaldehyde
CID 135005034
1-(4-ethenylphenyl)-10H-phenothiazine
CID 57281785

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane (CID 142894619) is 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane is C=CC1=C(C=C)Sc2ccccc2N1.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane?
The InChIKey is NVJNWWGMOSINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS.2C2H6/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;2*1-2/h3-8,13H,1-2H2;2*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane?
2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane has a molecular weight of 261.43 g/mol, XLogP of 5.84, 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)-4H-1,4-benzothiazine;ethane is sourced from PubChem (CID 142894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).