4- (Sulfanylmethyl) benzohydrazide

CAT: 0926-SDC73462-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SDC73462-01Size:50 mg

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CAS Number

1342734-62-6

MDL Number

MFCD18373785

Smiles

C1=CC (=CC=C1CS) C (=O) NN

Molecular Formula

C8H10N2OS

Molecular Weight

182.25 g/mol

Controlled

Chemical Information

4-(Sulfanylmethyl)benzohydrazide

CAS Number	1342734-62-6
PubChem CID	63590465
IUPAC Name	4-(sulfanylmethyl)benzohydrazide
Molecular Formula	C8H10N2OS
Molecular Weight	182.25
XLogP	0.5
Topological Polar Surface Area	56.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

C1=CC(=CC=C1CS)C(=O)NN

InChI

InChI=1S/C8H10N2OS/c9-10-8(11)7-3-1-6(5-12)2-4-7/h1-4,12H,5,9H2,(H,10,11)

InChIKey

XEAVGMCCIGBJLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1342734-62-6

CID: 63590465

Formula: C8H10N2OS

MW: 182.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.25
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	182.05138412
Monoisotopic Mass	182.05138412
Topological Polar Surface Area	56.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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
BCA77612-01	4- (Sulfanylmethyl) benzonitrile
DFA95865-01	4- (Benzyloxy) benzohydrazide
PCA32863-01	4- (Hexyloxy) benzohydrazide
WDB42656-01	4- (Isopentyloxy) benzohydrazide
CQA76937-01	4- (Phenoxymethyl) benzohydrazide
EXA40433-01	4- (4-Chlorophenoxymethyl) benzohydrazide
FQA17020	4- (4-Ethoxyphenoxymethyl) benzohydrazide
NJB64640-01	4-[ (Dimethylamino) methyl]benzohydrazide
CQA76938-01	4- (4-tert-Butylphenoxymethyl) benzohydrazide
SAA84164-01	4- (Aminomethyl) benzohydrazide hydrochloride

Catalog	Name
JH713632	Benzohydrazide
OR1025740-01	4- (Sulfanylmethyl) Benzonitrile
OR305435	4- (Sulfanylmethyl) pyridine
HY-W017043R-01	Benzohydrazide (Standard)
sc-344618	3- (methylsulfonyl) benzohydrazide
sc-305895	2- (Benzyloxy) benzohydrazide
sc-314865	4- (Benzylamino) benzohydrazide
PC103911-01	4- (Difluoromethoxy) benzohydrazide
sc-283584	3- (dimethylamino) benzohydrazide
sc-348363A	4- (methylsulfonyl) benzohydrazide