AG00G5KI

76176-87-9 | 1-Oxide thiomorpholine, HCl

AG00G5KI

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CAS Number	76176-87-9
Catalog Number	AG00G5KI(AGN-PC-02TMMC)
Chemical Name	1-Oxide thiomorpholine, HCl
EC Number	616-300-5
IUPAC Name	1,4-thiazinane 1-oxide;hydrochloride
InChI	InChI=1S/C4H9NOS.ClH/c6-7-3-1-5-2-4-7;/h5H,1-4H2;1H
InChI Key	CNAHTBMMJSMMEC-UHFFFAOYSA-N
MDL Number	MFCD09026928
Molecular Formula	C4H10ClNOS
Molecular Weight	155.6463
SMILES	O=S1CCNCC1.[H]Cl
Synonyms	76176-87-9, Thiomorpholine-1-oxide hydrochloride, ThioMorpholine-1-oxide HCl, 1-Oxide thiomorpholine hydrochloride, Thiomorpholine, 1-oxide, hydrochloride, 1-Oxothiomorpholine hydrochloride, C4H9NOS.HCl, 1-Oxide thiomorpholine HCl, 1-Oxide thiomorpholine, HCl, SCHEMBL564662, 1-oxo-thiomorpholine hydrochloride, CNAHTBMMJSMMEC-UHFFFAOYSA-N, Thiomorpholine-1-oxidehydrochloride, 1-oxide thiomorpholin hydrochloride, thiomorpholine 1-oxide hydrochloride, Thiomorpholine-S-oxide hydrochloride, 1,4-thiazinane 1-oxide;hydrochloride, AKOS008146524, MCULE-1812570930, SB12883, 1lambda-thiomorpholin-1-one hydrochloride, AK176852, CS-13132, CS-0043941, FT-0685909, V7654, 1$l^{4},4-thiomorpholin-1-one hydrochloride, EN300-69588, W-2658, 1-Oxide thiomorpholine hydrochloride, AldrichCPR, J-524951, MFCD09026928, 39213-13-3,

Complexity	75.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.017g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	155.64g/mol
Monoisotopic Mass	155.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	48.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number