| CAS Number | 107772-52-1 |
| Catalog Number | AG019L5P(AGN-PC-0OXNV9) |
| Chemical Name | 1-(10H-Phenothiazin-2-yl)ethanol |
| IUPAC Name | 1-(10H-phenothiazin-2-yl)ethanol |
| InChI | InChI=1S/C14H13NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-9,15-16H,1H3 |
| InChI Key | OQJSSFKWEIGNKG-UHFFFAOYSA-N |
| MDL Number | MFCD01475218 |
| Molecular Formula | C14H13NOS |
| Molecular Weight | 243.3241 |
| NSC Number | 516780 |
| SMILES | CC(C1=CC2=C(SC3=C(N2)C=CC=C3)C=C1)O |
| Synonyms | 1-(10H-phenothiazin-2-yl)ethan-1-ol,
1-(10H-phenothiazin-2-yl)ethanol,
107772-52-1,
SR-03000000760-1,
NSC516780,
AC1L6XAH,
AC1Q2BTX,
AC1Q775Z,
cid_350926,
SCHEMBL8608372,
CHEMBL1354139,
BDBM67537,
CTK6A5413,
1-(10h-phenothiazin-2-yl) ethanol,
AKOS000125755,
MCULE-3852620598,
NE18224,
NSC-516780,
EN300-29943,
Z228586160,
CID350926,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.324g/mol |
| Monoisotopic Mass | 243.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number