Monomers

2-Propenoic acid, 2-methyl-, thiiranylmethyl ester

Identifiers

IUPAC name
thiiran-2-ylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H10O2S/c1-5(2)7(8)9-3-6-4-10-6/h6H,1,3-4H2,2H3
InchI Key
OXUABORVCCLQJI-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC1CS1
Canonical SMILES
CC(=C)C(=O)OCC1CS1
Isomeric SMILES
CC(=C)C(=O)OCC1CS1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2S
Heavy Atom Count
10
Molecular Weight
158.222
Exact Molecular Weight
158.0402
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.2211
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.4005   -0.1301    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0403    0.3999    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8270    1.6860   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -0.5503   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -1.7866    0.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -0.0994   -0.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.0618   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251   -0.4018   -0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    0.6023    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608   -1.0068    0.4971 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1117    0.6989    0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095   -0.6914    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512   -0.7960   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265    2.4065   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246    2.0312   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -1.7657   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -1.7006    0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693   -0.1920   -1.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374    1.4098    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    0.9478    1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  8  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers