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30453-20-4 | 1-Butanol, 4,4'-dithiobis-
CAS No: 30453-20-4 Catalog No: AG003064 MDL No:
Product Description
Catalog Number:
AG003064
Chemical Name:
1-Butanol, 4,4'-dithiobis-
CAS Number:
30453-20-4
Molecular Formula:
C8H18O2S2
Molecular Weight:
210.3573
IUPAC Name:
4-(4-hydroxybutyldisulfanyl)butan-1-ol
InChI:
InChI=1S/C8H18O2S2/c9-5-1-3-7-11-12-8-4-2-6-10/h9-10H,1-8H2
InChI Key:
RUCLWVAQWOEEPY-UHFFFAOYSA-N
SMILES:
OCCCCSSCCCCO
EC Number:
250-207-7
Properties
Complexity:
71.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.35g/mol
Monoisotopic Mass:
210.075g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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