1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione - CAS 88570-74-5

Catalog:	BB067638
Product Name:	1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione
CAS:	88570-74-5
Synonyms:	1-[2-(oxan-2-yloxy)ethyl]-2H-tetrazole-5-thione; 1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione

Technical Data

IUPAC Name:	1-[2-(oxan-2-yloxy)ethyl]-2H-tetrazole-5-thione
Description:	1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione is used as an intermediate in the preparation of beta-lactam antibiotic Flomoxef (F401850) as well one of its metabolite.
Molecular Weight:	230.29
Molecular Formula:	C8H14N4O2S
Canonical SMILES:	C1CCOC(C1)OCCN2C(=S)N=NN2
InChI:	InChI=1S/C8H14N4O2S/c15-8-9-10-11-12(8)4-6-14-7-3-1-2-5-13-7/h7H,1-6H2,(H,9,11,15)
InChI Key:	UIDLCRDYIHJCKE-UHFFFAOYSA-N
Solubility:	Chloroform, Methanol
Appearance:	LIquid
References:	Oka, T. et al. Jap. J. Pharmacol., 46, 165 (1988); Konaka, R. et al. Chemotherapy, 35, 137 (1987).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.08374688
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.08374688
Rotatable Bond Count:	4
Topological Polar Surface Area:	90.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2