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114232-53-0 | 1H-Tetrazole, 2,5-dihydro-2-mercapto-1-methyl-
CAS No: 114232-53-0 Catalog No: AG000AW6 MDL No:
Product Description
Catalog Number:
AG000AW6
Chemical Name:
1H-Tetrazole, 2,5-dihydro-2-mercapto-1-methyl-
CAS Number:
114232-53-0
Molecular Formula:
C2H6N4S
Molecular Weight:
118.1608
IUPAC Name:
4-methyl-3-sulfido-1,5-dihydrotetrazol-3-ium
InChI:
InChI=1S/C2H6N4S/c1-5-2-3-4-6(5)7/h3H,2H2,1H3
InChI Key:
LCTDHDWDOACPDS-UHFFFAOYSA-N
SMILES:
CN1CN=NN1S
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.031g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.158g/mol
Monoisotopic Mass:
118.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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