Home Other Building Blocks Dimeric mercapto propanone

Dimeric mercapto propanone

CAS No.:
55704-78-4
Catalog Number:
AG003FZ7
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$55
- +
5g
95%
1 week
United States
$69
- +
25g
95%
1 week
United States
$114
- +
100g
95%
1 week
United States
$267
- +
Product Description
Catalog Number:
AG003FZ7
Chemical Name:
Dimeric mercapto propanone
CAS Number:
55704-78-4
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
MDL Number:
MFCD00010121
IUPAC Name:
2,5-dimethyl-1,4-dithiane-2,5-diol
InChI:
InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
InChI Key:
NHKIYYMFGJBOTK-UHFFFAOYSA-N
SMILES:
CC1(O)SCC(SC1)(C)O
EC Number:
259-770-3
NSC Number:
176174
FEMA Number:
3450
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.28g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties