7,8-dihydro-6H-1,3-thiazocine

C6H9NS — CID 123158027

IUPAC7,8-dihydro-6H-1,3-thiazocine
SMILESC1=C/N=C\SCCC1
InChIInChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h2,4,6H,1,3,5H2/b4-2?,7-6-
InChIKeyUZFWTHBKTXIFDY-FLNRURFJSA-N
MW127.21 g/mol
LogP2.06
Rot. Bonds

About 7,8-dihydro-6H-1,3-thiazocine

7,8-dihydro-6H-1,3-thiazocine (PubChem CID 123158027) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 7,8-dihydro-6H-1,3-thiazocine.

Molecular Properties

Compound Name7,8-dihydro-6H-1,3-thiazocine
PubChem CID123158027
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name7,8-dihydro-6H-1,3-thiazocine
SMILESC1=C/N=C\SCCC1
InChIInChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h2,4,6H,1,3,5H2/b4-2?,7-6-
InChIKeyUZFWTHBKTXIFDY-FLNRURFJSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-1,3-thiazocine?
The IUPAC name of 7,8-dihydro-6H-1,3-thiazocine (CID 123158027) is 7,8-dihydro-6H-1,3-thiazocine.
What is the SMILES notation for 7,8-dihydro-6H-1,3-thiazocine?
The canonical SMILES for 7,8-dihydro-6H-1,3-thiazocine is C1=C/N=C\SCCC1.
What is the InChIKey of 7,8-dihydro-6H-1,3-thiazocine?
The InChIKey is UZFWTHBKTXIFDY-FLNRURFJSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h2,4,6H,1,3,5H2/b4-2?,7-6-.
What are the key properties of 7,8-dihydro-6H-1,3-thiazocine?
7,8-dihydro-6H-1,3-thiazocine has a molecular weight of 127.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-1,3-thiazocine is sourced from PubChem (CID 123158027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).