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30488-00-7 | 2-Imidazolidinethione, 1-(1-naphthalenyl)-
CAS No: 30488-00-7 Catalog No: AG0030BX MDL No:
Product Description
Catalog Number:
AG0030BX
Chemical Name:
2-Imidazolidinethione, 1-(1-naphthalenyl)-
CAS Number:
30488-00-7
Molecular Formula:
C13H12N2S
Molecular Weight:
228.3128
IUPAC Name:
1-naphthalen-1-ylimidazolidine-2-thione
InChI:
InChI=1S/C13H12N2S/c16-13-14-8-9-15(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,14,16)
InChI Key:
ABXQVILZWXJCGP-UHFFFAOYSA-N
SMILES:
S=C1NCCN1c1cccc2c1cccc2
NSC Number:
135972
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.313g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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