AG003LZV

10442-03-2 | 4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide

AG003LZV

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CAS Number	10442-03-2
Catalog Number	AG003LZV(AGN-PC-0KKY42)
Chemical Name	4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide
IUPAC Name	4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
InChI	InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2
InChI Key	CZBZIZOYSYHBNM-UHFFFAOYSA-N
MDL Number	MFCD00085157
Molecular Formula	C7H11NO2S
Molecular Weight	173.2327
SMILES	C#CCN1CCS(CC1)(=O)=O
Synonyms	10442-03-2, 4-Propargylthiomorpholine 1,1-Dioxide, 4-(Prop-2-yn-1-yl)thiomorpholine 1,1-dioxide, thiomorpholine, 4-(2-propyn-1-yl)-, 1,1-dioxide, 4-(2-Propynyl)thiomorpholine 1,1-Dioxide, 4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide, 4-Propargyl thiomorpholine-1,1-dioxide, 4-PROPARGYLTHIOMORPHOLINE1,1-DIOXIDE, ACMC-1BYOM, AC1MCRL1, Oprea1_537731, SCHEMBL896956, CTK3J6649, DTXSID70380442, CZBZIZOYSYHBNM-UHFFFAOYSA-N, HMS1662C16, ANW-15069, MFCD00085157, SBB088793, ZINC19851824, 4-propargylthiomorpholine-1,1-dioxide, AKOS009158021, MCULE-5239891858, PS-4328, RTR-000984, SB17767, VZ29695, 4-propargyl-thiomorpholine-1,1-dioxide, KS-0000066W, N-propargyl-S,S-dioxo-4-thiapiperidine, FS000866, 4-prop-2-ynyl-thiomorpholine 1,1-dioxide, AB1003715, DB-015357, TR-000984, 4-(2-propynyl)-thiomorpholine 1,1-dioxide, CS-0047848, FT-0619432, P1469, K-0416, 4-prop-2-ynyl-1,4-thiazaperhydroine-1,1-dione, A800979, Thiomorpholine,4-(2-propyn-1-yl)-, 1,1-dioxide, 4-Propargyltetrahydro-4H-1,4-thiazine 1,1-dioxide, 4-prop-2-ynyl-thiomorpholine 1,1-dioxide, AldrichCPR, I14-35219, 4-(prop-2-yn-1-yl)-1|E6,4-thiomorpholine-1,1-dione, 4-(prop-2-yn-1-yl)-1lambda6-thiomorpholine-1,1-dione, 4-(prop-2-yn-1-yl)-1$l^{6},4-thiomorpholine-1,1-dione, 4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione, null, CID2777265, 4-(prop-2-yn-1-yl)-1-thiomorpholine-1,1-dione, 4-prop-2-ynyl-1lambda~6~,4-thiazinane-1,1-dione,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.051g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.23g/mol
Monoisotopic Mass	173.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P362-P301+P312-P312-P405-P403+P233-P501
UN Code	UN 3259

Certificate of Analysis

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