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76536-99-7 | Thiophene,2-isocyanato-5-methyl-
CAS No: 76536-99-7 Catalog No: AG005KHC MDL No:MFCD09817547
Product Description
Catalog Number:
AG005KHC
Chemical Name:
Thiophene,2-isocyanato-5-methyl-
CAS Number:
76536-99-7
Molecular Formula:
C6H5NOS
Molecular Weight:
139.1750
MDL Number:
MFCD09817547
IUPAC Name:
2-isocyanato-5-methylthiophene
InChI:
InChI=1S/C6H5NOS/c1-5-2-3-6(9-5)7-4-8/h2-3H,1H3
InChI Key:
TYOUGUHTXIYXLR-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)N=C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.172g/mol
Monoisotopic Mass:
139.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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