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2048-57-9

2048-57-9 | Thiophene, 2-isocyanato-

CAS No: 2048-57-9 Catalog No: AG0029PP MDL No:MFCD02677700

Product Description

Catalog Number:
AG0029PP
Chemical Name:
Thiophene, 2-isocyanato-
CAS Number:
2048-57-9
Molecular Formula:
C5H3NOS
Molecular Weight:
125.1484
MDL Number:
MFCD02677700
IUPAC Name:
2-isocyanatothiophene
InChI:
InChI=1S/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3H
InChI Key:
QVLWPBIUVXZGRK-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccs1

Properties

Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.994g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.145g/mol
Monoisotopic Mass:
124.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Nanoparticle vesicles through self assembly of cyclodextrin- and adamantyl-modified silica. Macromolecular rapid communications 20101215

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