(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine

C12H19NS — CID 123212945

IUPAC(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
SMILESCC=C/C=C1/SCCN=C1C(C)CC
InChIInChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,10H,5,8-9H2,1-3H3/b6-4?,11-7+
InChIKeyPKPIKTNYJRKTLF-UPEKCNLCSA-N
MW209.36 g/mol
LogP3.68
Rot. Bonds3

About (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine

(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine (PubChem CID 123212945) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
PubChem CID123212945
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
SMILESCC=C/C=C1/SCCN=C1C(C)CC
InChIInChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,10H,5,8-9H2,1-3H3/b6-4?,11-7+
InChIKeyPKPIKTNYJRKTLF-UPEKCNLCSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4,6-Tetrahydro-1,5-benzothiazepine
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(5Z)-3-[(E,3R)-2,3-dimethylpent-1-enyl]sulfanyl-N-ethenylocta-1,2,5,7-tetraen-4-imine
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6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
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3-Methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine
CID 91098994
(6E)-5-butan-2-yl-6-prop-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123616047
(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
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8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
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(6E)-N-ethyl-6-(3-propan-2-ylsulfanylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 139572395
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 144752184
(3aS,7aR)-N,4,7a-trimethyl-3aH-1-benzothiophen-3-imine
CID 156555710
6-Butan-2-yl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
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Frequently Asked Questions

What is the IUPAC name of (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine?
The IUPAC name of (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine (CID 123212945) is (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine?
The canonical SMILES for (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine is CC=C/C=C1/SCCN=C1C(C)CC.
What is the InChIKey of (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine?
The InChIKey is PKPIKTNYJRKTLF-UPEKCNLCSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,10H,5,8-9H2,1-3H3/b6-4?,11-7+.
What are the key properties of (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine?
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine has a molecular weight of 209.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 123212945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).