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2951-24-8 | Carbamothioic acid, N,N-dimethyl-, O-2-naphthalenyl ester
CAS No: 2951-24-8 Catalog No: AG002YM3 MDL No:
Product Description
Catalog Number:
AG002YM3
Chemical Name:
Carbamothioic acid, N,N-dimethyl-, O-2-naphthalenyl ester
CAS Number:
2951-24-8
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
O-naphthalen-2-yl N,N-dimethylcarbamothioate
InChI:
InChI=1S/C13H13NOS/c1-14(2)13(16)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChI Key:
LQMMYCCRBMAPDH-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)Oc1ccc2c(c1)cccc2
NSC Number:
132347
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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