(2E)-2-butylidene-3-methyl-1,4-thiazine

C9H13NS — CID 123512371

IUPAC(2E)-2-butylidene-3-methyl-1,4-thiazine
SMILESCCC/C=C1/SC=CN=C1C
InChIInChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h5-7H,3-4H2,1-2H3/b9-5+
InChIKeyUPEPNSCPTNKMDJ-WEVVVXLNSA-N
MW167.28 g/mol
LogP3.35
Rot. Bonds2

About (2E)-2-butylidene-3-methyl-1,4-thiazine

(2E)-2-butylidene-3-methyl-1,4-thiazine (PubChem CID 123512371) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2E)-2-butylidene-3-methyl-1,4-thiazine.

Molecular Properties

Compound Name(2E)-2-butylidene-3-methyl-1,4-thiazine
PubChem CID123512371
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2E)-2-butylidene-3-methyl-1,4-thiazine
SMILESCCC/C=C1/SC=CN=C1C
InChIInChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h5-7H,3-4H2,1-2H3/b9-5+
InChIKeyUPEPNSCPTNKMDJ-WEVVVXLNSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
2-(2-methyl-2,3-dihydrothiophen-5-yl)-3H-pyrrole
CID 139455900
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
6-Methyl-2-methylsulfanyl-2,3-dihydropyridine
CID 163749334
7-methyl-4-methylsulfanyl-4H-azepine
CID 167149974
3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine
CID 170187969
(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732057
(1E,5Z)-4-N-ethenyl-3-N-methyl-1-methylsulfanylhepta-1,5-diene-3,4-diimine
CID 173708129
ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
CID 178004056
(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864708

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-3-methyl-1,4-thiazine?
The IUPAC name of (2E)-2-butylidene-3-methyl-1,4-thiazine (CID 123512371) is (2E)-2-butylidene-3-methyl-1,4-thiazine.
What is the SMILES notation for (2E)-2-butylidene-3-methyl-1,4-thiazine?
The canonical SMILES for (2E)-2-butylidene-3-methyl-1,4-thiazine is CCC/C=C1/SC=CN=C1C.
What is the InChIKey of (2E)-2-butylidene-3-methyl-1,4-thiazine?
The InChIKey is UPEPNSCPTNKMDJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-9-8(2)10-6-7-11-9/h5-7H,3-4H2,1-2H3/b9-5+.
What are the key properties of (2E)-2-butylidene-3-methyl-1,4-thiazine?
(2E)-2-butylidene-3-methyl-1,4-thiazine has a molecular weight of 167.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-3-methyl-1,4-thiazine is sourced from PubChem (CID 123512371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).