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100020-34-6

100020-34-6 | 1H-Indene, 1,1-bis(ethylthio)-2,3-dihydro-

CAS No: 100020-34-6 Catalog No: AG0000B7 MDL No:

Product Description

Catalog Number:
AG0000B7
Chemical Name:
1H-Indene, 1,1-bis(ethylthio)-2,3-dihydro-
CAS Number:
100020-34-6
Molecular Formula:
C13H18S2
Molecular Weight:
238.4120
IUPAC Name:
3,3-bis(ethylsulfanyl)-1,2-dihydroindene
InChI:
InChI=1S/C13H18S2/c1-3-14-13(15-4-2)10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
XPEIOPKQGJYXCW-UHFFFAOYSA-N
SMILES:
CCSC1(SCC)CCc2c1cccc2

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.407g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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