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
-3.2527 1.1169 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6106 -0.0161 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1602 -1.0298 -0.7050 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5407 -1.7694 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.7820 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8391 -0.2234 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8281 0.7165 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5550 1.1168 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2852 0.5815 -1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2788 -0.3709 -1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4984 1.4200 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5506 1.7707 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 -0.2971 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5517 -2.3243 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -2.4798 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 -0.5202 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0345 1.1346 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3427 1.8633 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8594 0.8984 -2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0447 -0.8059 -2.4065 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