Thiophene, 2-isocyanato-


Chemical Name: Thiophene, 2-isocyanato-
CAS Number: 2048-57-9
Product Number: AG0029PP(AGN-PC-0KKXHG)
Synonyms:
MDL No:
Molecular Formula: C5H3NOS
Molecular Weight: 125.1484

Identification/Properties


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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H301+H331-H315-H318-H317-H334-H335
Precautionary Statements:
P501-P261-P272-P270-P271-P264-P280-P284-P302+P352-P342+P311-P362+P364-P333+P313-P301+P310+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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