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

C10H19NS — CID 144852883

IUPAC6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
SMILESC/C=C(\C)C1=CNCCS1.CC
InChIInChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;
InChIKeyWVAVESCGSVLFCS-CDQVLDCRSA-N
MW185.34 g/mol
LogP3.16
Rot. Bonds1

About 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane

6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane (PubChem CID 144852883) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
PubChem CID144852883
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane
SMILESC/C=C(\C)C1=CNCCS1.CC
InChIInChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;
InChIKeyWVAVESCGSVLFCS-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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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane (CID 144852883) is 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane is C/C=C(\C)C1=CNCCS1.CC.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
The InChIKey is WVAVESCGSVLFCS-CDQVLDCRSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,6,9H,4-5H2,1-2H3;1-2H3/b7-3+;.
What are the key properties of 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane?
6-[(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 6-[(E)-but-2-en-2-yl]-3,4-dihydro-2H-1,4-thiazine;ethane is sourced from PubChem (CID 144852883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).