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149488-92-6 | 1H-Pyrrole, 2-(2-isothiocyanatoethyl)-1-methyl-
CAS No: 149488-92-6 Catalog No: AG001LQX MDL No:
Product Description
Catalog Number:
AG001LQX
Chemical Name:
1H-Pyrrole, 2-(2-isothiocyanatoethyl)-1-methyl-
CAS Number:
149488-92-6
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
IUPAC Name:
2-(2-isothiocyanatoethyl)-1-methylpyrrole
InChI:
InChI=1S/C8H10N2S/c1-10-6-2-3-8(10)4-5-9-7-11/h2-3,6H,4-5H2,1H3
InChI Key:
SQVOMSCWFNOXDB-UHFFFAOYSA-N
SMILES:
S=C=NCCc1cccn1C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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