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141890-08-6 | 1,2-Benzenediol, 4-[1,2,3-tris(ethylthio)propyl]-
CAS No: 141890-08-6 Catalog No: AG001HBI MDL No:
Product Description
Catalog Number:
AG001HBI
Chemical Name:
1,2-Benzenediol, 4-[1,2,3-tris(ethylthio)propyl]-
CAS Number:
141890-08-6
Molecular Formula:
C15H24O2S3
Molecular Weight:
332.5449
IUPAC Name:
4-[1,2,3-tris(ethylsulfanyl)propyl]benzene-1,2-diol
InChI:
InChI=1S/C15H24O2S3/c1-4-18-10-14(19-5-2)15(20-6-3)11-7-8-12(16)13(17)9-11/h7-9,14-17H,4-6,10H2,1-3H3
InChI Key:
DSRVNSKBACYKSJ-UHFFFAOYSA-N
SMILES:
CCSC(c1ccc(c(c1)O)O)C(SCC)CSCC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.535g/mol
Monoisotopic Mass:
332.094g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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