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88139-82-6 | Furan, 3-[bis(methylthio)methyl]-
CAS No: 88139-82-6 Catalog No: AG004DAH MDL No:
Product Description
Catalog Number:
AG004DAH
Chemical Name:
Furan, 3-[bis(methylthio)methyl]-
CAS Number:
88139-82-6
Molecular Formula:
C7H10OS2
Molecular Weight:
174.2837
IUPAC Name:
3-[bis(methylsulfanyl)methyl]furan
InChI:
InChI=1S/C7H10OS2/c1-9-7(10-2)6-3-4-8-5-6/h3-5,7H,1-2H3
InChI Key:
VCKXKTUEJYIBJJ-UHFFFAOYSA-N
SMILES:
CSC(c1cocc1)SC
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.276g/mol
Monoisotopic Mass:
174.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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