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

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

CAS No.:
933699-73-1
Catalog Number:
AG01AA0C
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
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Product Description
Catalog Number:
AG01AA0C
Chemical Name:
2-[(oxan-2-ylmethyl)sulfanyl]acetic acid
CAS Number:
933699-73-1
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
MDL Number:
MFCD11647279
IUPAC Name:
2-(oxan-2-ylmethylsulfanyl)acetic acid
InChI:
InChI=1S/C8H14O3S/c9-8(10)6-12-5-7-3-1-2-4-11-7/h7H,1-6H2,(H,9,10)
InChI Key:
XTLOAIAZNBWRHR-UHFFFAOYSA-N
SMILES:
OC(=O)CSCC1CCCCO1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties