- InChI
- InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
- InChI Key
- TUBQDCKAWGHZPF-UHFFFAOYSA-N
- Formula
- C9H6N2S3
- SMILES
- N#CSCSc1nc2ccccc2s1
- Molecular Weight1
- 238.35
- CAS
- 21564-17-0
- Other Names
-
- (benzothiazol-2-ylthio)methyl thiocyanate
- 2-(Thiocyanomethylthio)benzothiazole
- 2-[(Thiocyanatomethyl)thio]benzothiazole
- Alentisan
- Benthiazole
- Busan
- Busan 1030
- Busan 15
- Busan 30
- Busan 30-1
- Busan 30A
- Busan 30I
- Busan 70
- Busan 71
- Busan 72
- Busan 72A
- Delsan 30
- Ichiban
- KVK 733059
- Sancelant TMB
- Superdavloxan
- TCMTB
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 3.560 | Crippen Calculated Property | |
| McVol | 159.160 | ml/mol | McGowan Calculated Property |
| Inp | [2162.00; 2162.00] |
|
|
| Inp | 2162.00 | NIST | |
| Inp | 2162.00 | NIST |
Similar Compounds
Find more compounds similar to Thiocyanic acid, (2-benzothiazolylthio)methyl ester.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of Organic Biocides in Supercritical CO2 and CO2 + Cosolvent Mixtures
- McGowan Method
- NIST Webbook
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