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128016-40-0 | 2-[(2-Bromoethyl)sulfanyl]-5-(dodecylsulfanyl)-1,3,4-thiadiazole
CAS No: 128016-40-0 Catalog No: AG01F5SS MDL No:MFCD00956594
Product Description
Catalog Number:
AG01F5SS
Chemical Name:
2-[(2-Bromoethyl)sulfanyl]-5-(dodecylsulfanyl)-1,3,4-thiadiazole
CAS Number:
128016-40-0
Molecular Formula:
C16H29BrN2S3
Molecular Weight:
425.5139
MDL Number:
MFCD00956594
IUPAC Name:
2-(2-bromoethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole
InChI:
InChI=1S/C16H29BrN2S3/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-18-19-16(22-15)21-14-12-17/h2-14H2,1H3
InChI Key:
TVZFIMLTWZTGLJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1nnc(s1)SCCBr
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.506g/mol
Monoisotopic Mass:
424.068g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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