Chem S Benzylthiuronium Chloride Molychem

Compound 289
  CheckMol                        TMF02:r0:m0
MF=C8H11ClN2S MW=202.70
 12 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6216    1.4148   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361    1.4266   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3761    0.1297   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3933    0.1415   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051    2.7352   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8852    0.1415   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6397    1.4501   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6397   -1.1436   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1488    1.4619   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1488   -1.1318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.9152    0.1768   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 12 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   5   1
M  END

S-Benzylthiuronium Chloride

₹ 0.00 0.00

Chemical Name - S-Benzylthiuronium Chloride
Mol Weight - 167.255
Smiles - NC(SCc1ccccc1)=[NH2+].[Cl-]

Property Name	Property Value
Mol Name	S-Benzylthiuronium Chloride
Molweight	167.255
Monoisotopic Mass	167.064293
Clogp	1.5814
Clogs	-2.104
H Acceptors	2
H Donors	2
Total Surface Area	116.59
Relative Psa	0.27112
Polar Surface Area	76.91
Druglikeness	-1.1108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.61743
Molecular Complexity	0.52781
Fragments	2
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Basic Nitrogens	1
Smiles	NC(SCc1ccccc1)=[NH2+].[Cl-]
InChIKey	InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChI	WJAASTDRAAMYNK-UHFFFAOYSA-N

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S-Benzylthiuronium Chloride