Home Other Building Blocks 2-methyl-4-(prop-2-yn-1-ylsulfanyl)phenol

2-methyl-4-(prop-2-yn-1-ylsulfanyl)phenol

CAS No.:
772-57-6
Catalog Number:
AG01EMU5
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
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Product Description
Catalog Number:
AG01EMU5
Chemical Name:
2-methyl-4-(prop-2-yn-1-ylsulfanyl)phenol
CAS Number:
772-57-6
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD24729657
IUPAC Name:
2-methyl-4-prop-2-ynylsulfanylphenol
InChI:
InChI=1S/C10H10OS/c1-3-6-12-9-4-5-10(11)8(2)7-9/h1,4-5,7,11H,6H2,2H3
InChI Key:
GMUBHMKUAQTOBE-UHFFFAOYSA-N
SMILES:
C#CCSc1ccc(c(c1)C)O
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties