Home Carbonyls methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate

methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate

CAS No.:
59669-26-0
Catalog Number:
AG00ILL8
Molecular Formula:
C10H18N4O4S3
Molecular Weight:
354.4693
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Product Description
Catalog Number:
AG00ILL8
Chemical Name:
methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
CAS Number:
59669-26-0
Molecular Formula:
C10H18N4O4S3
Molecular Weight:
354.4693
MDL Number:
MFCD00145401
IUPAC Name:
methyl (1E)-N-[methyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
InChI:
InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+
InChI Key:
XDOTVMNBCQVZKG-MKICQXMISA-N
SMILES:
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C
EC Number:
261-848-7
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
354.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.458g/mol
Monoisotopic Mass:
354.049g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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