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

C12H13NS — CID 142189141

IUPAC2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen
SMILESC=CC1=C(C=C)Sc2ccccc2N1.[H][H]
InChIInChI=1S/C12H11NS.H2/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;/h3-8,13H,1-2H2;1H
InChIKeyDTOKBWBTYWCABR-UHFFFAOYSA-N
MW203.31 g/mol
LogP4.03
Rot. Bonds2

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

2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen (PubChem CID 142189141) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen
PubChem CID142189141
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen
SMILESC=CC1=C(C=C)Sc2ccccc2N1.[H][H]
InChIInChI=1S/C12H11NS.H2/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;/h3-8,13H,1-2H2;1H
InChIKeyDTOKBWBTYWCABR-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
CID 142894619
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
boric acid;10H-phenothiazine
CID 159987394
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
1-(4-ethenylphenyl)-10H-phenothiazine
CID 57281785
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
2-methyl-10H-phenothiazine
CID 611628
2-[(E)-2-phenylethenyl]-10H-phenothiazine
CID 139233874
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
3-(N-methylanilino)-4H-1,4-benzothiazine-2-carbaldehyde
CID 135005034
2-ethenyl-3-[(Z)-3-methylbut-1-enyl]-1,4-benzodithiine
CID 143149796

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen?
The IUPAC name of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen (CID 142189141) is 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen.
What is the SMILES notation for 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen?
The canonical SMILES for 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen is C=CC1=C(C=C)Sc2ccccc2N1.[H][H].
What is the InChIKey of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen?
The InChIKey is DTOKBWBTYWCABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS.H2/c1-3-9-11(4-2)14-12-8-6-5-7-10(12)13-9;/h3-8,13H,1-2H2;1H.
What are the key properties of 2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen?
2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen has a molecular weight of 203.31 g/mol, XLogP of 4.03, 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;molecular hydrogen is sourced from PubChem (CID 142189141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).