AG00IF4F

88511-13-1 | 3-Thietanamine, 1,1-dioxide

AG00IF4F

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CAS Number	88511-13-1
Catalog Number	AG00IF4F(AGN-PC-0AMAAC)
Chemical Name	3-Thietanamine, 1,1-dioxide
IUPAC Name	1,1-dioxothietan-3-amine
InChI	InChI=1S/C3H7NO2S/c4-3-1-7(5,6)2-3/h3H,1-2,4H2
InChI Key	QYOJSNPPGRBNJR-UHFFFAOYSA-N
MDL Number	MFCD11847691
Molecular Formula	C3H7NO2S
Molecular Weight	121.1582
SMILES	NC(C1)CS1(=O)=O
Synonyms	3-aminothietane 1,1-dioxide, 88511-13-1, (1,1-Dioxido-3-thietanyl)amine, 3-Thietanamine, 1,1-dioxide, 3-amino-1-thietane-1,1-dione, 1,1-dioxothietan-3-amine, SCHEMBL1357392, QYOJSNPPGRBNJR-UHFFFAOYSA-N, 3-amino-1??-thietane-1,1-dione, MFCD18445741, ZINC62712735, 3-amino-1lambda-thietane-1,1-dione, 3-amino-1lambda6-thietane-1,1-dione, AKOS006372470, CS-W000573, MCULE-8044332494, 1,1-Dioxo-llambda*6*-thietan-3-ylamine, AK171700, BS-12769, 1,1-Dioxo-1 lambda*6*-thietan-3-ylamine, F8880-5831, (2,6-Dichloropyridin-4-yl)methanamine hydrochloride, 879660-72-7,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.02g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	121.154g/mol
Monoisotopic Mass	121.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number