4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide

C7H12ClNOS — CID 131233951

IUPAC4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C7H12ClNOS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-2H,3-7H2/b2-1+
InChIKeyZXUWCAPYJTVCDG-OWOJBTEDSA-N
MW193.70 g/mol
LogP0.80
Rot. Bonds2

About 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide

4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide (PubChem CID 131233951) has the molecular formula C7H12ClNOS and a molecular weight of 193.70 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide
PubChem CID131233951
Molecular FormulaC7H12ClNOS
Molecular Weight193.70 g/mol
Exact Mass193.03
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(C/C=C/Cl)CC1
InChIInChI=1S/C7H12ClNOS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-2H,3-7H2/b2-1+
InChIKeyZXUWCAPYJTVCDG-OWOJBTEDSA-N
XLogP0.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide (CID 131233951) is 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide is O=S1CCN(C/C=C/Cl)CC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide?
The InChIKey is ZXUWCAPYJTVCDG-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H12ClNOS/c8-2-1-3-9-4-6-11(10)7-5-9/h1-2H,3-7H2/b2-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide?
4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide has a molecular weight of 193.70 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 131233951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).