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2492-26-4

2492-26-4 | 2(3H)-Benzothiazolethione, sodium salt (1:1)

CAS No: 2492-26-4 Catalog No: AG002PW0 MDL No:MFCD00065334

Product Description

Catalog Number:
AG002PW0
Chemical Name:
2(3H)-Benzothiazolethione, sodium salt (1:1)
CAS Number:
2492-26-4
Molecular Formula:
C7H5NNaS2
Molecular Weight:
190.2411
MDL Number:
MFCD00065334
IUPAC Name:
sodium;1,3-benzothiazole-2-thiolate
InChI:
InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key:
VLDHWMAJBNWALQ-UHFFFAOYSA-M
SMILES:
S=c1sc2c([nH]1)cccc2.[Na]
EC Number:
219-660-8
UNII:
2K7B30DX7O
UN Number:
1760

Properties

Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.968g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.226g/mol
Monoisotopic Mass:
188.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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