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
    2.8609    0.5713   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -0.1361    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867   -0.8497    1.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5785   -0.0311    0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1777   -0.6152    1.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    0.7276   -0.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    0.8972   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.4541   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5499   -0.4062   -0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -1.0682    0.6390 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487    1.3517   -0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    1.1068    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782   -0.1399   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -0.9201    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -1.3657    2.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.5167   -1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773    1.4044    0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.1079   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9592   -1.0994   -1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    0.6179   -0.9664 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