AG003F4T

81536-18-7 | 2-(tert-Butylsulfonyl)acetonitrile

AG003F4T

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CAS Number	81536-18-7
Catalog Number	AG003F4T(AGN-PC-0KKYYH)
Chemical Name	2-(tert-Butylsulfonyl)acetonitrile
IUPAC Name	2-tert-butylsulfonylacetonitrile
InChI	InChI=1S/C6H11NO2S/c1-6(2,3)10(8,9)5-4-7/h5H2,1-3H3
InChI Key	ZRCYCIRRPIYJOU-UHFFFAOYSA-N
MDL Number	MFCD00051622
Molecular Formula	C6H11NO2S
Molecular Weight	161.2220
SMILES	N#CCS(=O)(C(C)(C)C)=O
Synonyms	81536-18-7, 2-(tert-Butylsulfonyl)acetonitrile, tert-Butylsulfonylacetonitrile, 2-tert-butylsulfonylacetonitrile, 36635-64-0, tert-Butanesulfonylacetonitrile, 2-(2-methylpropane-2-sulfonyl)acetonitrile, MFCD00051622, 2-tert-butylsulfonylethanenitrile, 2-[(tert-butyl)sulfonyl]ethanenitrile, AC1MCTIM, ACMC-1AILQ, Maybridge1_004678, t-butylsulfonylacetonitrile, (tert-butylsulfonyl)acetonitrile, SCHEMBL9017756, CTK3F0931, HMS554M14, ZINC96047, ZRCYCIRRPIYJOU-UHFFFAOYSA-N, 1714AE, CCG-53929, SBB087541, AKOS005104766, MCULE-6058913477, RP02190, VZ33788, KS-0000213V, ZB003360, DB-025722, TR-014977, FT-0641830, FT-0682153, ST50824810, Y4145, 9C-101, X-4436, A823318, A840155, J-506626, SR-01000643054-1, I14-26732, I14-94653, 2- ACETONITRILE, C6H11NO2S, ZINC00096047, CID2778536,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.051g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.219g/mol
Monoisotopic Mass	161.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317-H319
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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