Tcmtb
Properties
- Molecular formula
- C9H6N2S3
- Molar mass
- 238.34 g/mol
- Exact mass
- 237.9693 Da
- Density
- 1.4 g/mL
- Melting point
- below −10 °C
- Boiling point
- above 120 °C
- logP
- 3.56Crippen estimate
- Polar surface area
- 36.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
Identifiers
CAS number
21564-17-0SMILES
N#CSCSc1nc2ccccc2s1InChIKey
TUBQDCKAWGHZPF-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
41 names · show all
- Thiocyanic acid, (2-benzothiazolylthio)methyl ester
- 2-[(Thiocyanatomethyl)thio]benzothiazole
- Busan 72
- 2-(Thiocyanomethylthio)benzothiazole
- Busan 15
- Busan 72A
- KVK 733059
- Busan 30I
- Busan 30-1
- Busan 30
- Ichiban
- Busan 70
- Alentisan
- Busan 71
- Busan 30A
- Benthiazole
- Superdavloxan
- Busan 1030
- Sancelant TMB
- 2-(Thiocyanatomethylthio)benzo[d]thiazole
- Delsan 30
- Busan 80
- Busan 30L
- Nusan
- Busan 1118
- Busan 30WBA
- BN 30
- Bulab 6009
- Afrotin CRO
- Busan 30WB
- Ascend
- Nu-flow T
- Guzafan
- Argent 30
- Argent
- Tolcide 2230
- 2-(Thiocyanatomethylthio)-1,3-benzothiazole
- Fungicide FDE
- Acticide WB 300
- (2-Benzothiazolylthio)methyl thiocyanate
- 2-(Thiocyanomethylthio)benzthiazole
Work with Tcmtb
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Accelerator dm120-78-558 % similar
2-(Methylthio)benzothiazole615-22-553 % similar
2-(2-Benzothiazolylthio)acetic acid6295-57-450 % similar
2-(4-Morpholinothio)benzothiazole102-77-247 % similar
2-Benzothiazoleacetonitrile56278-50-346 % similar
N,N-Dicyclohexyl-2-benzothiazolesulfenamide4979-32-245 % similar
Accelerator cz95-33-045 % similar
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide95-31-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds