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

C14H17NS — CID 143411154

IUPAC(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C
InChIInChI=1S/C14H17NS/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5/h6-10H,1-3H2,4-5H3/b12-10+,14-9+
InChIKeyKCHLGVRTSOZSNQ-LSBMZBKTSA-N
MW231.36 g/mol
LogP4.22
Rot. Bonds3

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

(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine (PubChem CID 143411154) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine.

Molecular Properties

Compound Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine
PubChem CID143411154
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C
InChIInChI=1S/C14H17NS/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5/h6-10H,1-3H2,4-5H3/b12-10+,14-9+
InChIKeyKCHLGVRTSOZSNQ-LSBMZBKTSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine
CID 145488164
(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
CID 143411150
(5E,6E)-2-ethenyl-5-ethylidene-1,4-diphenyl-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenepyrazine
CID 142288113
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-phenyl-5-prop-2-enylidene-1,4-oxazine
CID 145446589
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
CID 142222940
2-ethylidene-3-prop-2-enylidenethiolane
CID 123580390
(3E,5E)-1-methyl-4-penta-1,4-dien-3-ylidene-3,5-bis(prop-2-enylidene)pyrrolidin-2-one
CID 174261938
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-1-naphthalen-2-yl-4-phenyl-5-prop-2-enylidenepyrazine
CID 142288324
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine;ethane
CID 142222939
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
3,4-bis(ethenyl)-5-methyl-2-thia-5-azabicyclo[5.5.0]dodeca-1(7),3,8,11-tetraene
CID 142986165
ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
CID 170763545

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?
The IUPAC name of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine (CID 143411154) is (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine.
What is the SMILES notation for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine?
The canonical SMILES for (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine is C=C/C=C1C(=C/C)\SC(C=C)=C(C=C)N\1C.
What is the InChIKey of (5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine?
The InChIKey is KCHLGVRTSOZSNQ-LSBMZBKTSA-N. The full InChI is InChI=1S/C14H17NS/c1-6-10-12-14(9-4)16-13(8-3)11(7-2)15(12)5/h6-10H,1-3H2,4-5H3/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?
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine has a molecular weight of 231.36 g/mol, XLogP of 4.22, 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 is sourced from PubChem (CID 143411154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).