AG003F35

2274-42-2 | Acetonitrile, 2-​(methylsulfonyl)​-

AG003F35

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CAS Number	2274-42-2
Catalog Number	AG003F35(AGN-PC-0JLP9A)
Chemical Name	Acetonitrile, 2-​(methylsulfonyl)​-
EC Number	218-888-5
IUPAC Name	2-methylsulfonylacetonitrile
InChI	InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3
InChI Key	FOTRKCAZUSJCQD-UHFFFAOYSA-N
MDL Number	MFCD00014743
Molecular Formula	C3H5NO2S
Molecular Weight	119.1423
NSC Number	207832
SMILES	C(S(=O)(=O)C)C#N
Synonyms	2274-42-2, Methylsulfonylacetonitrile, 2-(Methylsulfonyl)acetonitrile, (methylsulfonyl)acetonitrile, Mesylacetonitrile, Methanesulfonylacetonitrile, 2-methanesulfonylacetonitrile, Cyanomethylsulfonylmethane, methanesulphonylacetonitrile, Acetonitrile, (methylsulfonyl)-, MFCD00014743, Cyanomethyl methyl sulphone, (methanesulphonyl)acetonitrile, FOTRKCAZUSJCQD-UHFFFAOYSA-N, 2-(methylsulfonyl)ethanenitrile, 2-(Methylsulfonyl)acetonitrile, 97%, EINECS 218-888-5, NSC207832, methylsulfonylacetonitril, ACMC-209fym, AC1L2OFO, AC1Q4GLN, AC1Q4SJV, methylsulfonyl acetonitrile, methanesulfonyl-acetonitrile, 2-methylsulfonylacetonitrile, (methanesulfonyl)acetonitrile, SCHEMBL48038, alpha-methylsulfonylacetonitrile, 2-(methylsulphonyl)acetonitrile, CHEBI:32444, CTK3J2606, KS-00000EKK, Acetonitrile,2-(methylsulfonyl)-, DTXSID40177280, (Methylsulfonyl)acetonitrile, 97%, ALBB-022893, STR01981, ZINC1743210, 7755AD, ANW-24956, BBL013497, SBB056473, STL135860, AKOS001060631, AS06226, CM13898, MCULE-8861900036, NSC-207832, AJ-31392, CJ-29582, SY044684, AB0092815, DB-045979, RT-000807, CS-0038940, FT-0628293, M0667, R1309, ST45244500, EN300-16459, MFCD00014743 (98%), J-014839, I14-49200, InChI=1/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H, C3H5NO2S, C3-H5-N-O2-S, KST-1A2941, CID75283, AR-1A7728, Methylsulfonylacetonitrile, 98% 10g, ACN-054187, 23308-82-9,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.004g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	119.138g/mol
Monoisotopic Mass	119.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332
Precuationary statements	P280
Siginal words

Certificate of Analysis

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