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84307-87-9 | 1-Penten-3-ol, 2,3-dimethyl-1,1-bis(methylthio)-
CAS No: 84307-87-9 Catalog No: AG004TAP MDL No:
Product Description
Catalog Number:
AG004TAP
Chemical Name:
1-Penten-3-ol, 2,3-dimethyl-1,1-bis(methylthio)-
CAS Number:
84307-87-9
Molecular Formula:
C9H18OS2
Molecular Weight:
206.3686
IUPAC Name:
2,3-dimethyl-1,1-bis(methylsulfanyl)pent-1-en-3-ol
InChI:
InChI=1S/C9H18OS2/c1-6-9(3,10)7(2)8(11-4)12-5/h10H,6H2,1-5H3
InChI Key:
UYFBVBHGVKYDOK-UHFFFAOYSA-N
SMILES:
CSC(=C(C(CC)(O)C)C)SC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.362g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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