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
4.4591 -0.3248 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 -0.0840 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 -0.2408 0.5727 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 0.1555 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7508 0.0623 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5162 -1.0807 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 -1.1130 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4699 0.0164 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7312 1.1765 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3883 1.1865 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4885 -0.2434 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.6098 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7003 0.1981 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9442 -0.5521 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9478 1.1697 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0139 -1.9562 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4508 -2.0068 -0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 0.0455 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1768 2.0820 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8521 2.1191 0.1680 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