(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane

C18H29NS — CID 143411153

IUPAC(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C.CC.CC
InChIInChI=1S/C14H17NS.2C2H6/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5;2*1-2/h6-10H,1-3H2,4-5H3;2*1-2H3/b12-10+,14-9+;;
InChIKeyWXQDPBVRJXSCLL-LIZNINBJSA-N
MW291.50 g/mol
LogP6.27
Rot. Bonds3

About (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane

(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane (PubChem CID 143411153) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane.

Molecular Properties

Compound Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane
PubChem CID143411153
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C.CC.CC
InChIInChI=1S/C14H17NS.2C2H6/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5;2*1-2/h6-10H,1-3H2,4-5H3;2*1-2H3/b12-10+,14-9+;;
InChIKeyWXQDPBVRJXSCLL-LIZNINBJSA-N
XLogP6.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Diethylaminothiopyran
CID 129646622
6-methyl-1-(2-methylsulfanylethyl)-2H-pyridine
CID 59893091
4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
CID 129042272
2,6-bis(ethenyl)-4-methyl-3,5-bis[(Z)-prop-1-enyl]-1,4-thiazine
CID 129214832
(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
CID 134481175
(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine
CID 139382058
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine;ethane
CID 142222939
3-ethylsulfanyl-1,6-dimethyl-2H-pyridine
CID 143707852
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
CID 143764438
(5E,6E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-1,4-thiazine
CID 143764439
(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane
CID 143764442
ethane;(5E,6E)-3-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidene-6-prop-2-ynylidene-1,4-thiazine
CID 144092287

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane?
The IUPAC name of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane (CID 143411153) is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane.
What is the SMILES notation for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane?
The canonical SMILES for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane is C=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C.CC.CC.
What is the InChIKey of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane?
The InChIKey is WXQDPBVRJXSCLL-LIZNINBJSA-N. The full InChI is InChI=1S/C14H17NS.2C2H6/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5;2*1-2/h6-10H,1-3H2,4-5H3;2*1-2H3/b12-10+,14-9+;;.
What are the key properties of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane?
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane has a molecular weight of 291.50 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine;ethane is sourced from PubChem (CID 143411153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).