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13702-09-5 | 1-Propyne, 3,3'-thiobis-
CAS No: 13702-09-5 Catalog No: AG0012QL MDL No:MFCD00048109
Product Description
Catalog Number:
AG0012QL
Chemical Name:
1-Propyne, 3,3'-thiobis-
CAS Number:
13702-09-5
Molecular Formula:
C6H6S
Molecular Weight:
110.1768
MDL Number:
MFCD00048109
IUPAC Name:
3-prop-2-ynylsulfanylprop-1-yne
InChI:
InChI=1S/C6H6S/c1-3-5-7-6-4-2/h1-2H,5-6H2
InChI Key:
XPTMJJIPRSWBDK-UHFFFAOYSA-N
SMILES:
C#CCSCC#C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.019g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.174g/mol
Monoisotopic Mass:
110.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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