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
3.9411 0.1786 0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2968 1.3106 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5887 1.2592 0.0992 S 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 -0.3001 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 -0.2713 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 0.2486 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9332 0.2784 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3127 -0.2111 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.7311 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0060 -0.7591 -1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4446 -0.7685 0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9751 0.1724 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8182 2.2403 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3260 -1.1797 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8378 -0.3158 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3412 0.6429 1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 0.6883 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3604 -0.1878 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5834 -1.1229 -2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2164 -1.1718 -1.6866 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