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210905-75-2 | BENZENE, 1-ETHYNYL-3-(METHYLTHIO)-
CAS No: 210905-75-2 Catalog No: AG002L1Y MDL No:MFCD17281925
Product Description
Catalog Number:
AG002L1Y
Chemical Name:
BENZENE, 1-ETHYNYL-3-(METHYLTHIO)-
CAS Number:
210905-75-2
Molecular Formula:
C9H8S
Molecular Weight:
148.2248
MDL Number:
MFCD17281925
IUPAC Name:
1-ethynyl-3-methylsulfanylbenzene
InChI:
InChI=1S/C9H8S/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
InChI Key:
GIRFUCHVWOPTDM-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)C#C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.223g/mol
Monoisotopic Mass:
148.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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