Monomers
Benzyl vinyl sulfide
Identifiers
IUPAC name
ethenylsulfanylmethylbenzene
InchI
InChI=1S/C9H10S/c1-2-10-8-9-6-4-3-5-7-9/h2-7H,1,8H2
InchI Key
RYZCGQUXJPHSSF-UHFFFAOYSA-N
SMILES
C=CSCc1ccccc1
Canonical SMILES
C=CSCC1=CC=CC=C1
Isomeric SMILES
C=CSCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10S
Heavy Atom Count
10
Molecular Weight
150.246
Exact Molecular Weight
150.0503
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0633
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
20 20 0 0 0 0 0 0 0 0999 V2000
4.2841 1.1267 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3530 0.8284 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6295 0.9341 0.4972 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 -0.3315 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7075 -0.3400 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1822 -1.1344 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5445 -1.1526 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4311 -0.3934 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 0.4098 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6050 0.4272 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3380 1.0645 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0461 1.4398 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 0.5189 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 -1.3206 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 -0.1591 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -1.7372 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8408 -1.7993 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4804 -0.4409 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6451 1.0192 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 1.0407 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers