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
   -3.5586   -0.1614   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946    0.0494    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122    0.4074    1.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488   -0.1381   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671   -0.4797   -1.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    0.0541   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545   -0.1319   -0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6205    0.1580   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540    0.0352   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -1.3330    0.3759 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8524    0.5882   -0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002   -1.1710   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3011   -0.0743    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022    0.5708    2.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8845    0.5378    2.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    0.6944   -1.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -1.1210   -1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401    0.9468    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7692    0.7321   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -0.1636   -1.8209 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