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29195-46-8 | 6-Thia-2,3,9,10,12-pentaazatrideca-3,8-dienethioamide, N-methyl-11-thioxo-
CAS No: 29195-46-8 Catalog No: AG002XNM MDL No:
Product Description
Catalog Number:
AG002XNM
Chemical Name:
6-Thia-2,3,9,10,12-pentaazatrideca-3,8-dienethioamide, N-methyl-11-thioxo-
CAS Number:
29195-46-8
Molecular Formula:
C8H16N6S3
Molecular Weight:
292.4478
IUPAC Name:
1-methyl-3-[2-[2-(methylcarbamothioylhydrazinylidene)ethylsulfanyl]ethylideneamino]thiourea
InChI:
InChI=1S/C8H16N6S3/c1-9-7(15)13-11-3-5-17-6-4-12-14-8(16)10-2/h3-4H,5-6H2,1-2H3,(H2,9,13,15)(H2,10,14,16)
InChI Key:
MIKGWDUMKVRKAY-UHFFFAOYSA-N
SMILES:
CNC(=S)NN=CCSCC=NNC(=S)NC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
292.438g/mol
Monoisotopic Mass:
292.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.4
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