Home Other Building Blocks 1H-Benzotriazole, 1-[(methylthio)methyl]-

1H-Benzotriazole, 1-[(methylthio)methyl]-

CAS No.:
183164-38-7
Catalog Number:
AG0024F8
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$302
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Product Description
Catalog Number:
AG0024F8
Chemical Name:
1H-Benzotriazole, 1-[(methylthio)methyl]-
CAS Number:
183164-38-7
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
MDL Number:
MFCD00956230
IUPAC Name:
1-(methylsulfanylmethyl)benzotriazole
InChI:
InChI=1S/C8H9N3S/c1-12-6-11-8-5-3-2-4-7(8)9-10-11/h2-5H,6H2,1H3
InChI Key:
XIBSFNFXWRFAMG-UHFFFAOYSA-N
SMILES:
CSCn1nnc2c1cccc2
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Benzotriazolyl-mediated 1,2-shifts of electron-rich heterocycles. The Journal of organic chemistry 20040611
Properties