Home Carboxys Cyclobutanecarboxylic acid, 1-(methylthio)- (9CI)

Cyclobutanecarboxylic acid, 1-(methylthio)- (9CI)

CAS No.:
35120-20-8
Catalog Number:
AG00CSE4
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
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Product Description
Catalog Number:
AG00CSE4
Chemical Name:
Cyclobutanecarboxylic acid, 1-(methylthio)- (9CI)
CAS Number:
35120-20-8
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
MDL Number:
MFCD19229084
IUPAC Name:
1-methylsulfanylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H10O2S/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChI Key:
VYIRBKPXROSGEQ-UHFFFAOYSA-N
SMILES:
CSC1(CCC1)C(=O)O
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties