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87996-16-5 | 1H-Tetrazole, 1-methyl-5-(2-propenylthio)-
CAS No: 87996-16-5 Catalog No: AG004L50 MDL No:
Product Description
Catalog Number:
AG004L50
Chemical Name:
1H-Tetrazole, 1-methyl-5-(2-propenylthio)-
CAS Number:
87996-16-5
Molecular Formula:
C5H8N4S
Molecular Weight:
156.2088
IUPAC Name:
1-methyl-5-prop-2-enylsulfanyltetrazole
InChI:
InChI=1S/C5H8N4S/c1-3-4-10-5-6-7-8-9(5)2/h3H,1,4H2,2H3
InChI Key:
GGCLDHIQBAGLGR-UHFFFAOYSA-N
SMILES:
C=CCSc1nnnn1C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.207g/mol
Monoisotopic Mass:
156.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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