(3-Cyanophenyl) methanesulfonohydrazide

CAT: 0926-GWB13245-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GWB13245-01Size:100 mg

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CAS Number

1156132-45-4

MDL Number

MFCD12181286

Smiles

C1=CC (=CC (=C1) C#N) CS (=O) (=O) NN

Molecular Formula

C8H9N3O2S

Molecular Weight

211.24 g/mol

Controlled

Chemical Information

(3-Cyanophenyl)methanesulfonohydrazide

CAS Number	1156132-45-4
PubChem CID	43476897
IUPAC Name	(3-cyanophenyl)methanesulfonohydrazide
Molecular Formula	C8H9N3O2S
Molecular Weight	211.24
XLogP	-0.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	324

SMILES

C1=CC(=CC(=C1)C#N)CS(=O)(=O)NN

InChI

InChI=1S/C8H9N3O2S/c9-5-7-2-1-3-8(4-7)6-14(12,13)11-10/h1-4,11H,6,10H2

InChIKey

BVXSQIGYPCDPGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1156132-45-4

CID: 43476897

Formula: C8H9N3O2S

MW: 211.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.24
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	211.04154771
Monoisotopic Mass	211.04154771
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PRB99928-01	(4-Cyanophenyl) methanesulfonohydrazide
ZBA77756-01	(4-Nitrophenyl) methanesulfonohydrazide
FWB08172-01	(4-Fluorophenyl) methanesulfonohydrazide
ZTB12239-01	(3-Cyanophenyl) methanesulfonamide
LFA16716-01	3-Cyanophenyl sulfamate
ZNA64071-01	N- (3-Cyanophenyl) propanamide
ICA20284	N- (3-Cyanophenyl) acetamide
AFB62046-01	N- (3-Cyanophenyl) cyclobutanecarboxamide
BEA94636	N- (3-Cyanophenyl) cyclopropanecarboxamide
MDA18671-01	N- (3-Cyanophenyl) benzenesulfonamide

Catalog	Name
OR91527-01	Methanesulfonohydrazide
267431-01	3-Cyanophenyl isocyanate
OR322082	3-Cyanophenyl isothiocyanate
428834-01	4- (3-Cyanophenyl) phenol
428833-01	4- (3-Cyanophenyl) benzonitrile
sc-346818	(3-cyanophenyl) methanesulfonyl chloride
sc-354553	N- (3-cyanophenyl) sulfamide
sc-279534	N- (3-cyanophenyl) methanesulfonamide
OR912976-01	Methyl (3-cyanophenyl) acetate
sc-354551A	N- (3-cyanophenyl) acetamide