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85093-41-0 | 3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
CAS No: 85093-41-0 Catalog No: AG004XNF MDL No:MFCD01678626
Product Description
Catalog Number:
AG004XNF
Chemical Name:
3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
CAS Number:
85093-41-0
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD01678626
IUPAC Name:
3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C5H7N3S/c1-3-9-5-6-4(2)7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChI Key:
QEULFNTXLZTRMT-UHFFFAOYSA-N
SMILES:
C=CSc1n[nH]c(n1)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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