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29515-99-9 | 2H-Tetrazole, 5-(methylthio)-
CAS No: 29515-99-9 Catalog No: AG002YMG MDL No:MFCD00068726
Product Description
Catalog Number:
AG002YMG
Chemical Name:
2H-Tetrazole, 5-(methylthio)-
CAS Number:
29515-99-9
Molecular Formula:
C2H4N4S
Molecular Weight:
116.1450
MDL Number:
MFCD00068726
IUPAC Name:
5-methylsulfanyl-2H-tetrazole
InChI:
InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChI Key:
ZBXNFTFKKOSPLD-UHFFFAOYSA-N
SMILES:
CSc1n[nH]nn1
NSC Number:
141852
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.142g/mol
Monoisotopic Mass:
116.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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