(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine

C10H15NS — CID 123687327

IUPAC(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine
SMILESC=CC1=NC(C)(C)CS/C1=C/C
InChIInChI=1S/C10H15NS/c1-5-8-9(6-2)12-7-10(3,4)11-8/h5-6H,1,7H2,2-4H3/b9-6+
InChIKeyIGDLWVCXVNLZLC-RMKNXTFCSA-N
MW181.30 g/mol
LogP3.04
Rot. Bonds1

About (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine

(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine (PubChem CID 123687327) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine.

Molecular Properties

Compound Name(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine
PubChem CID123687327
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine
SMILESC=CC1=NC(C)(C)CS/C1=C/C
InChIInChI=1S/C10H15NS/c1-5-8-9(6-2)12-7-10(3,4)11-8/h5-6H,1,7H2,2-4H3/b9-6+
InChIKeyIGDLWVCXVNLZLC-RMKNXTFCSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
(E)-N-tert-butyl-6-ethylsulfanylhept-3-en-2-imine
CID 155787761
2-butylsulfanyl-1-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 142145332
(1E,4Z)-N-methyl-1-(2H-thiopyran-6-yl)hexa-1,4-dien-3-imine
CID 142918181
N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732074

Frequently Asked Questions

What is the IUPAC name of (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine?
The IUPAC name of (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine (CID 123687327) is (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine.
What is the SMILES notation for (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine?
The canonical SMILES for (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine is C=CC1=NC(C)(C)CS/C1=C/C.
What is the InChIKey of (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine?
The InChIKey is IGDLWVCXVNLZLC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-8-9(6-2)12-7-10(3,4)11-8/h5-6H,1,7H2,2-4H3/b9-6+.
What are the key properties of (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine?
(6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine has a molecular weight of 181.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-ethenyl-6-ethylidene-3,3-dimethyl-2H-1,4-thiazine is sourced from PubChem (CID 123687327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).