Home Other Building Blocks 2-(1,4-dithian-2-yl)acetic acid

2-(1,4-dithian-2-yl)acetic acid

CAS No.:
933690-72-3
Catalog Number:
AG01A20G
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
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Product Description
Catalog Number:
AG01A20G
Chemical Name:
2-(1,4-dithian-2-yl)acetic acid
CAS Number:
933690-72-3
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
MDL Number:
MFCD22566003
IUPAC Name:
2-(1,4-dithian-2-yl)acetic acid
InChI:
InChI=1S/C6H10O2S2/c7-6(8)3-5-4-9-1-2-10-5/h5H,1-4H2,(H,7,8)
InChI Key:
WWBFAEVCVVUDKZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CSCCS1
Properties
Complexity:
127  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
178.264g/mol
Monoisotopic Mass:
178.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties