Home Other Building Blocks 1-methoxy-2-(prop-2-yn-1-ylsulfanyl)benzene

1-methoxy-2-(prop-2-yn-1-ylsulfanyl)benzene

CAS No.:
157506-52-0
Catalog Number:
AG01B22Y
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
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Product Description
Catalog Number:
AG01B22Y
Chemical Name:
1-methoxy-2-(prop-2-yn-1-ylsulfanyl)benzene
CAS Number:
157506-52-0
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD14638477
IUPAC Name:
1-methoxy-2-prop-2-ynylsulfanylbenzene
InChI:
InChI=1S/C10H10OS/c1-3-8-12-10-7-5-4-6-9(10)11-2/h1,4-7H,8H2,2H3
InChI Key:
FVBVGJBSHJIUQJ-UHFFFAOYSA-N
SMILES:
C#CCSc1ccccc1OC
Properties
Complexity:
170  
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties