Home Other Building Blocks 2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetic acid

2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetic acid

CAS No.:
1001907-63-6
Catalog Number:
AG01C5N8
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C5N8
Chemical Name:
2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetic acid
CAS Number:
1001907-63-6
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
MDL Number:
MFCD21235961
IUPAC Name:
2-[1-(methylsulfanylmethyl)cyclopropyl]acetic acid
InChI:
InChI=1S/C7H12O2S/c1-10-5-7(2-3-7)4-6(8)9/h2-5H2,1H3,(H,8,9)
InChI Key:
XGTQTJSLMMWRBH-UHFFFAOYSA-N
SMILES:
CSCC1(CC1)CC(=O)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties