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20611-11-4 | 2-Dodecanol, 1-mercapto-
CAS No: 20611-11-4 Catalog No: AG002AIR MDL No:
Product Description
Catalog Number:
AG002AIR
Chemical Name:
2-Dodecanol, 1-mercapto-
CAS Number:
20611-11-4
Molecular Formula:
C12H26OS
Molecular Weight:
218.3992
IUPAC Name:
1-sulfanyldodecan-2-ol
InChI:
InChI=1S/C12H26OS/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12-14H,2-11H2,1H3
InChI Key:
GGMUJCCSBRQVTP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(CS)O
EC Number:
243-918-9
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.17g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.399g/mol
Monoisotopic Mass:
218.17g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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