| CAS Number | 1207972-75-5 |
| Catalog Number | AG01FLA0(AGN-PC-3H5LC7) |
| Chemical Name | {4-chlorothieno[3,2-d]pyrimidin-6-yl}methanol |
| IUPAC Name | (4-chlorothieno[3,2-d]pyrimidin-6-yl)methanol |
| InChI | InChI=1S/C7H5ClN2OS/c8-7-6-5(9-3-10-7)1-4(2-11)12-6/h1,3,11H,2H2 |
| InChI Key | RFXVTILHEIPLRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12923082 |
| Molecular Formula | C7H5ClN2OS |
| Molecular Weight | 200.6454 |
| SMILES | ClC=1C2=C(N=CN1)C=C(S2)CO |
| Synonyms | 1207972-75-5,
{4-chlorothieno[3,2-d]pyrimidin-6-yl}methanol,
(4-chlorothieno[3,2-d]pyrimidin-6-yl)methanol,
Thieno[3,2-d]pyrimidine-6-methanol, 4-chloro-,
SCHEMBL1855310,
RFXVTILHEIPLRQ-UHFFFAOYSA-N,
CS-0088182,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.64g/mol |
| Monoisotopic Mass | 199.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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