C1=CC2=C(C=C1C(F)(F)F)NC(=S)S2
CAS: 23420-87-3
Name: 5-(trifluoromethyl)-3H-1,3-benzothiazole-2-thione
SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=S)S2

Molecular Processing

Molecular formula
C8H4F3NS2
Molecular weight
235.26
Exact mass
234.9737
XLogP
3.98
TPSA
15.79
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.01

Supplementary Information

InChIKey: DJRUWESABPZMRB-UHFFFAOYSA-N
Synonyms
23420-87-35-(Trifluoromethyl)-1,3-benzothiazole-2-thiol5-(Trifluoromethyl)benzo[d]thiazole-2(3H)-thione2(3H)-Benzothiazolethione, 5-(trifluoromethyl)-5-(trifluoromethyl)benzo[d]thiazole-2-thiol5-(trifluoromethyl)-3H-1,3-benzothiazole-2-thioneMFCD018098222-mercapto-5-(trifluoromethyl)benzothiazoleC8H4F3NS22-benzothiazolethiol, 5-(trifluoromethyl)-5-(trifluoromethyl)benzothiazole-2-thiolTimTec1_004394SCHEMBL1748145SCHEMBL12265940SCHEMBL31547354DTXSID10350684HMS1546H16ALBB-023996MFCD20543066SBB071814AKOS003268136AKOS025287240DS-94895-trifluoromethyl-2-mercaptobenzthiazole2-mercapto-5-trifluoromethylbenzothiazoleSY1139572-Mercapto-5-trifluoromethyl-benzothiazoleBenzothiazole-2-thiol, 5-trifluoromethyl-DB-347180CS-0046927
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Involved in 36 reactions→

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