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2-Mercaptobenzoic Acid Hydrazide

CAT: 0572-TRC-M252620-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M252620-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24611-43-6
Hazard Statement
No Data Available
Smiles
NNC(=O)c1ccccc1S
Molecular Formula
C7 H8 N2 O S
Molecular Weight
168.216
InChI
InChI=1S/C7H8N2OS/c8-9-7(10)5-3-1-2-4-6(5)11/h1-4,11H,8H2,(H,9,10)
Additionnal Information
IUPAC name: 2-sulfanylbenzohydrazide
Shipping Conditions
Room Temperature

Chemical Information

2-Sulfanylbenzohydrazide
CAS Number24611-43-6
PubChem CID466857
IUPAC Name2-sulfanylbenzohydrazide
Molecular FormulaC7H8N2OS
Molecular Weight168.22
XLogP-0.3
Topological Polar Surface Area56.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CC=C(C(=C1)C(=O)NN)S
InChI
InChI=1S/C7H8N2OS/c8-9-7(10)5-3-1-2-4-6(5)11/h1-4,11H,8H2,(H,9,10)
InChIKey
HEEFKHNBQNJSOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Sulfanylbenzohydrazide
CAS: 24611-43-6
CID: 466857
Formula: C7H8N2OS
MW: 168.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.22
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass168.03573406
Monoisotopic Mass168.03573406
Topological Polar Surface Area56.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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