| CAS Number | 170283-02-0 |
| Catalog Number | AG00B9XS(AGN-PC-03J1WM) |
| Chemical Name | Isothiazol-4-ylmethanol |
| IUPAC Name | 1,2-thiazol-4-ylmethanol |
| InChI | InChI=1S/C4H5NOS/c6-2-4-1-5-7-3-4/h1,3,6H,2H2 |
| InChI Key | OVRPVAZRSIBVJO-UHFFFAOYSA-N |
| MDL Number | MFCD19688186 |
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.1536 |
| SMILES | OCC1=CSN=C1 |
| Synonyms | Isothiazol-4-ylmethanol,
170283-02-0,
(ISOTHIAZOL-4-YL)METHANOL,
1,2-thiazol-4-ylmethanol,
4-Isothiazolemethanol,
SCHEMBL435345,
(1,2-Thiazol-4-yl)methanol,
DTXSID90621460,
OVRPVAZRSIBVJO-UHFFFAOYSA-N,
MFCD19688186,
ZINC95803962,
AKOS024465128,
AS-42065,
ST24047456,
X-3719,
|
| Complexity | 59.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.15g/mol |
| Monoisotopic Mass | 115.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H226-H302-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number