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845878-94-6 | Methyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate
CAS No: 845878-94-6 Catalog No: AG01F2DH MDL No:
Product Description
Catalog Number:
AG01F2DH
Chemical Name:
Methyl [(2-thioxobenzo[d]thiazol-3(2H)-yl)methyl] cyanocarbonimidodithioate
CAS Number:
845878-94-6
Molecular Formula:
C11H9N3S4
Molecular Weight:
311.4693
IUPAC Name:
[methylsulfanyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]methylidene]cyanamide
InChI:
InChI=1S/C11H9N3S4/c1-16-10(13-6-12)17-7-14-8-4-2-3-5-9(8)18-11(14)15/h2-5H,7H2,1H3
InChI Key:
UCMCDSPLGLASQE-UHFFFAOYSA-N
SMILES:
N#C/N=C(\SCn1c(=S)sc2c1cccc2)/SC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.968g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.454g/mol
Monoisotopic Mass:
310.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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