Home Other Building Blocks 2-(1-isocyanatoethyl)-5-methylthiophene

2-(1-isocyanatoethyl)-5-methylthiophene

CAS No.:
1341887-09-9
Catalog Number:
AG01A0X9
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
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Product Description
Catalog Number:
AG01A0X9
Chemical Name:
2-(1-isocyanatoethyl)-5-methylthiophene
CAS Number:
1341887-09-9
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD18269759
IUPAC Name:
2-(1-isocyanatoethyl)-5-methylthiophene
InChI:
InChI=1S/C8H9NOS/c1-6-3-4-8(11-6)7(2)9-5-10/h3-4,7H,1-2H3
InChI Key:
YAGZNNPMCUPFPR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(s1)C)N=C=O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties