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
   -3.4223   -0.0727    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    0.4347    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    1.7143   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9474   -0.4606    0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -1.6997    0.5976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707   -0.0396    0.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081   -0.9837    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504   -0.3470    0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    0.3844   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0373   -1.2349   -0.0852 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6525   -0.5322   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947    0.6752    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5747   -0.8941    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    2.1065    0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    2.3802   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648   -1.4250    1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590   -1.8323    0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731   -0.0251    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524    0.6126   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216    1.2390   -0.0831 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