Chem Naphthalene 2 Carbothioamide Dsrpl

Compound 227
  CheckMol                        TMF02:r0:m0
MF=C11H9NS MW=187.26
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    0.7604   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831    2.2811   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8850    0.7841   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5781   -1.4851   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1801    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8732   -2.2217   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1682   -1.4495   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4751    0.8198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4632   -2.1861   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7701    0.0832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7582   -1.4138   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 01  0  2  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
  8  9 01  0  1  0  0
 12 13 02  0  1  0  0
M  END

naphthalene-2-carbothioamide

₹ 0.00 0.00

Chemical Name - naphthalene-2-carbothioamide
Mol Weight - 187.265
Smiles - NC(c1cc2ccccc2cc1)=S

Property Name	Property Value
Mol Name	naphthalene-2-carbothioamide
Molweight	187.265
Monoisotopic Mass	187.045569
Clogp	2.6392
Clogs	-3.241
H Acceptors	1
H Donors	1
Total Surface Area	149.09
Relative Psa	0.29023
Polar Surface Area	58.11
Druglikeness	-2.0209
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.24864
Molecular Complexity	0.60693
Fragments	1
Non H Atoms	13
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Smiles	NC(c1cc2ccccc2cc1)=S
InChIKey	InChI=1S/C11H9NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChI	ZQGJZFKITDDUEH-UHFFFAOYSA-N

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naphthalene-2-carbothioamide