5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane

C10H19NS — CID 144852931

IUPAC5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
SMILESC/C=C(\C)C1=CSCCN1.CC
InChIInChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-10-5-4-9-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;
InChIKeyMXIUJILMICLKPK-CDQVLDCRSA-N
MW185.34 g/mol
LogP3.16
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane

5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane (PubChem CID 144852931) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
PubChem CID144852931
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
SMILESC/C=C(\C)C1=CSCCN1.CC
InChIInChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-10-5-4-9-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;
InChIKeyMXIUJILMICLKPK-CDQVLDCRSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
CID 59893090
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
CID 89341111
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
6-Methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
CID 139572219
(3-Methyl-1,2-dihydropyridin-6-yl)methanethiol
CID 141981794
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
CID 142253686
2-Methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
CID 143124040
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
ethane;(2E,5Z)-1-N-(2-ethylsulfanylethyl)-7-methyl-6-N-prop-2-enylocta-2,5,7-triene-1,6-diamine
CID 145617775
(2E,3E)-2-but-3-en-2-ylidene-3-ethylidenethiomorpholine
CID 146535222

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane (CID 144852931) is 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane is C/C=C(\C)C1=CSCCN1.CC.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The InChIKey is MXIUJILMICLKPK-CDQVLDCRSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-10-5-4-9-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;.
What are the key properties of 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane has a molecular weight of 185.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane is sourced from PubChem (CID 144852931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).