ethane;2-methylidene-3,4-dihydro-1,3-thiazine

C7H13NS — CID 91487228

IUPACethane;2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=C1NCC=CS1.CC
InChIInChI=1S/C5H7NS.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3
InChIKeyJEQTWKRGAMUMJU-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.33
Rot. Bonds

About ethane;2-methylidene-3,4-dihydro-1,3-thiazine

ethane;2-methylidene-3,4-dihydro-1,3-thiazine (PubChem CID 91487228) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethane;2-methylidene-3,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Nameethane;2-methylidene-3,4-dihydro-1,3-thiazine
PubChem CID91487228
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethane;2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=C1NCC=CS1.CC
InChIInChI=1S/C5H7NS.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3
InChIKeyJEQTWKRGAMUMJU-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-3,4-dihydro-1,3-thiazine?
The IUPAC name of ethane;2-methylidene-3,4-dihydro-1,3-thiazine (CID 91487228) is ethane;2-methylidene-3,4-dihydro-1,3-thiazine.
What is the SMILES notation for ethane;2-methylidene-3,4-dihydro-1,3-thiazine?
The canonical SMILES for ethane;2-methylidene-3,4-dihydro-1,3-thiazine is C=C1NCC=CS1.CC.
What is the InChIKey of ethane;2-methylidene-3,4-dihydro-1,3-thiazine?
The InChIKey is JEQTWKRGAMUMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H6/c1-5-6-3-2-4-7-5;1-2/h2,4,6H,1,3H2;1-2H3.
What are the key properties of ethane;2-methylidene-3,4-dihydro-1,3-thiazine?
ethane;2-methylidene-3,4-dihydro-1,3-thiazine has a molecular weight of 143.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-3,4-dihydro-1,3-thiazine is sourced from PubChem (CID 91487228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).