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Home Other Building Blocks 6-Ethynyl-4,4-dimethylthiochroman

6-Ethynyl-4,4-dimethylthiochroman

CAS No.:
118292-06-1
Catalog Number:
AG0038YI
Molecular Formula:
C13H14S
Molecular Weight:
202.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$73
- +
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG0038YI
Chemical Name:
6-Ethynyl-4,4-dimethylthiochroman
CAS Number:
118292-06-1
Molecular Formula:
C13H14S
Molecular Weight:
202.3153
MDL Number:
MFCD00902029
IUPAC Name:
6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene
InChI:
InChI=1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3
InChI Key:
KVHNVHGCQWNGLG-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)C(C)(C)CCS2
EC Number:
601-515-9
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.315g/mol
Monoisotopic Mass:
202.082g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties