Home Carboxys 1,3-Dithiane-2-carboxylic acid methylester

1,3-Dithiane-2-carboxylic acid methylester

CAS No.:
56579-84-1
Catalog Number:
AG00EVJR
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
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Product Description
Catalog Number:
AG00EVJR
Chemical Name:
1,3-Dithiane-2-carboxylic acid methylester
CAS Number:
56579-84-1
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
MDL Number:
MFCD16876644
IUPAC Name:
methyl 1,3-dithiane-2-carboxylate
InChI:
InChI=1S/C6H10O2S2/c1-8-5(7)6-9-3-2-4-10-6/h6H,2-4H2,1H3
InChI Key:
KAXSFBNZPWBKDH-UHFFFAOYSA-N
SMILES:
COC(=O)C1SCCCS1
NSC Number:
241856
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.012g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.264g/mol
Monoisotopic Mass:
178.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties