Home Other Building Blocks 2-[(oxolan-2-ylmethyl)sulfanyl]acetic acid

2-[(oxolan-2-ylmethyl)sulfanyl]acetic acid

CAS No.:
933757-92-7
Catalog Number:
AG01AA2X
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
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Product Description
Catalog Number:
AG01AA2X
Chemical Name:
2-[(oxolan-2-ylmethyl)sulfanyl]acetic acid
CAS Number:
933757-92-7
Molecular Formula:
C7H12O3S
Molecular Weight:
176.2334
MDL Number:
MFCD09733022
IUPAC Name:
2-(oxolan-2-ylmethylsulfanyl)acetic acid
InChI:
InChI=1S/C7H12O3S/c8-7(9)5-11-4-6-2-1-3-10-6/h6H,1-5H2,(H,8,9)
InChI Key:
MJLXXYLWKORWTN-UHFFFAOYSA-N
SMILES:
OC(=O)CSCC1CCCO1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.23g/mol
Monoisotopic Mass:
176.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties