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
   -3.2686   -1.3820   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1850   -0.4379    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952    0.6083    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -0.7286   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -1.7316   -0.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    0.1356    0.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5244   -0.0552   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    1.0959    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384    1.0968    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176    0.7814    1.7265 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -1.2927    0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8371   -2.4091   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5480   -1.2073   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408    1.3214    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052    0.7997    1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679   -0.0007   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302   -1.0240    0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    2.0902    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2287    0.2640   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    2.0758   -0.2700 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