Home Carboxys (S)-Methyl 5-thioxopyrrolidine-2-carboxylate

(S)-Methyl 5-thioxopyrrolidine-2-carboxylate

CAS No.:
85178-37-6
Catalog Number:
AG00GKXE
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$41
- +
250mg
95%
In Stock USA
United States
$76
- +
1g
95%
In Stock USA
United States
$152
- +
5g
95%
In Stock USA
United States
$454
- +
Product Description
Catalog Number:
AG00GKXE
Chemical Name:
(S)-Methyl 5-thioxopyrrolidine-2-carboxylate
CAS Number:
85178-37-6
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD27999902
IUPAC Name:
methyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate
InChI:
InChI=1S/C6H9NO2S/c1-9-6(8)4-2-3-5(10)7-4/h4H,2-3H2,1H3,(H,7,10)/t4-/m0/s1
InChI Key:
BDNFWMHPTDPFIT-BYPYZUCNSA-N
SMILES:
COC(=O)[C@@H]1CCC(=S)N1
EC Number:
285-985-7
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties