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
   -2.4553    1.0966    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -0.3093    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320   -1.1338    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804   -0.8583   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035   -2.0565   -0.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085   -0.0409   -0.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363   -0.4259   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    0.7663   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8523    0.4200   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0811    1.6577   -1.4557 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8578    1.3685    1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193    1.2598    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260    1.7728   -0.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417   -2.1552   -0.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067   -0.7426    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027   -0.8290   -1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -1.1643    0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    1.2553    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617   -0.5493   -0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5780    0.6681    0.3488 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