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15267-13-7 | Urea,1,1'-(dithiodiethylene)bis[1-methyl-2-thio- (8CI)
CAS No: 15267-13-7 Catalog No: AG007YKB MDL No:
Product Description
Catalog Number:
AG007YKB
Chemical Name:
Urea,1,1'-(dithiodiethylene)bis[1-methyl-2-thio- (8CI)
CAS Number:
15267-13-7
Molecular Formula:
C8H18N4S4
Molecular Weight:
298.5153
IUPAC Name:
1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylthiourea
InChI:
InChI=1S/C8H18N4S4/c1-11(7(9)13)3-5-15-16-6-4-12(2)8(10)14/h3-6H2,1-2H3,(H2,9,13)(H2,10,14)
InChI Key:
XBJFOBPZJUHDTF-UHFFFAOYSA-N
SMILES:
CN(C(=S)N)CCSSCCN(C(=S)N)C
UNII:
5Z6MT24SJ6
NSC Number:
139736
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.5g/mol
Monoisotopic Mass:
298.041g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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