| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 1,3-benzothiazol-2-ylmethanol 1,3-benzothiazol-2-ylmethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 37859-42-0 , [37859-42-0]
2-(Hydroxymethyl)-1,3-benzothiazole
2-(Hydroxymethyl)benzothiazole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.44 | 1.38 | -9.72 | 1 | 2 | 0 | 33 | 165.217 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 89 - 91 | Enamine Building Blocks |
| MP | 89...91 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Mp [°C] | 95 - 96 | Acros Organics |
| Melting_Point | 96-100? | Alfa-Aesar |
| Melting_Point | 96-100° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
