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
4.3547 1.0119 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 0.1453 0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.4527 0.8750 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 -0.3819 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6930 -0.1765 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 0.8880 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6770 1.0935 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4838 0.2299 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 -0.8375 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4996 -1.0396 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3921 0.8115 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0086 1.9708 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7117 -0.8023 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1151 -0.1115 -1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9830 -1.4812 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6776 1.5763 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 1.9438 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5537 0.3981 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4846 -1.5288 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0195 -1.8902 0.8549 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