1-Cyanoethane-1-sulfonamide

CAT: 0926-YZB03860-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YZB03860-01Size:50 mg

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CAS Number

1248038-60-9

MDL Number

MFCD16079035

Smiles

CC (C#N) S (=O) (=O) N

Molecular Formula

C3H6N2O2S

Molecular Weight

134.16 g/mol

Controlled

Chemical Information

1-Cyanoethane-1-sulfonamide

CAS Number	1248038-60-9
PubChem CID	61695694
IUPAC Name	1-cyanoethanesulfonamide
Molecular Formula	C3H6N2O2S
Molecular Weight	134.16
XLogP	-0.9
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	203

SMILES

CC(C#N)S(=O)(=O)N

InChI

InChI=1S/C3H6N2O2S/c1-3(2-4)8(5,6)7/h3H,1H3,(H2,5,6,7)

InChIKey

UUVAMAVZNZLSMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1248038-60-9

CID: 61695694

Formula: C3H6N2O2S

MW: 134.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.16
XLogP3	-0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	134.01499861
Monoisotopic Mass	134.01499861
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XDA71680-01	2-Cyanoethane-1-sulfonamide
JBA87617-01	1-Cyanoethane-1-sulfonyl chloride
IUB65843-01	1-Ethynylcyclopropane-1-sulfonamide
AVD27364-01	1-Methylcyclopentane-1-sulfonamide
GCB80876-01	1-Chlorocyclopropane-1-sulfonamide
GCB80856-01	1-ethylcyclopropane-1-sulfonamide
BKD17713-01	1-Methylcyclobutane-1-sulfonamide
XZB49445-01	1-Phenylpropane-1-sulfonamide
PID27707-01	1-Ethenylcyclopropane-1-sulfonamide
ZAA24371	Propane-1-sulfonamide

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