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1672-34-0

1672-34-0 | 1,2,4,5-Tetrazine, 3,6-bis(methylthio)-

CAS No: 1672-34-0 Catalog No: AG001X6X MDL No:

Product Description

Catalog Number:
AG001X6X
Chemical Name:
1,2,4,5-Tetrazine, 3,6-bis(methylthio)-
CAS Number:
1672-34-0
Molecular Formula:
C4H6N4S2
Molecular Weight:
174.2472
IUPAC Name:
3,6-bis(methylsulfanyl)-1,2,4,5-tetrazine
InChI:
InChI=1S/C4H6N4S2/c1-9-3-5-7-4(10-2)8-6-3/h1-2H3
InChI Key:
ROUDTSAXQIBBFZ-UHFFFAOYSA-N
SMILES:
CSc1nnc(nn1)SC
NSC Number:
674352

Properties

Complexity:
81.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.003g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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