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145547-85-9 | 1H,3H,5H,7H-[1,3,4]Thiadiazolo[3,4-c][1,3,4]thiadiazole
CAS No: 145547-85-9 Catalog No: AG001D66 MDL No:
Product Description
Catalog Number:
AG001D66
Chemical Name:
1H,3H,5H,7H-[1,3,4]Thiadiazolo[3,4-c][1,3,4]thiadiazole
CAS Number:
145547-85-9
Molecular Formula:
C4H8N2S2
Molecular Weight:
148.2497
IUPAC Name:
1,3,5,7-tetrahydro-[1,3,4]thiadiazolo[3,4-c][1,3,4]thiadiazole
InChI:
InChI=1S/C4H8N2S2/c1-5-2-8-4-6(5)3-7-1/h1-4H2
InChI Key:
STIOMZDJYZTBFK-UHFFFAOYSA-N
SMILES:
S1CN2N(C1)CSC2
Properties
Complexity:
78
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.013g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.242g/mol
Monoisotopic Mass:
148.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Stereoelectronic effects in N-C-S and N-N-C systems: experimental and ab initio AIM study. | The journal of physical chemistry. A 20080605 |
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