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
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
-3.4412 -0.4103 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2116 -0.2857 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3261 -0.3602 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9412 -0.0871 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8054 -0.0134 1.8894 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 0.0276 -0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 0.2221 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 0.3065 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9382 0.5177 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -1.0111 -0.9878 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.3191 -0.0898 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2952 0.2153 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5960 -1.4492 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 -0.2650 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2967 -0.5096 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5058 1.0944 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7170 -0.7264 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1538 0.8544 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4334 1.4003 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1055 0.5693 0.8295 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