2-(Hydroxymethyl)-5-nitrothiophene - CAS 20898-85-5
Catalog: |
BB016392 |
Product Name: |
2-(Hydroxymethyl)-5-nitrothiophene |
CAS: |
20898-85-5 |
Synonyms: |
(5-nitro-2-thiophenyl)methanol; (5-nitrothiophen-2-yl)methanol |
IUPAC Name: | (5-nitrothiophen-2-yl)methanol |
Description: | 2-(Hydroxymethyl)-5-nitrothiophene (CAS# 20898-85-5) is a useful research chemical. |
Molecular Weight: | 159.16 |
Molecular Formula: | C5H5NO3S |
Canonical SMILES: | C1=C(SC(=C1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C5H5NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2 |
InChI Key: | QYNOWSBTIMNUDS-UHFFFAOYSA-N |
Boiling Point: | 334 ℃ at 760 mmHg |
Density: | 1.522 g/cm3 |
LogP: | 1.67180 |
Publication Number | Title | Priority Date |
CN-111440141-A | Preparation method of hydroxymethyl substituted aromatic heterocyclic compound | 20200520 |
CN-110437281-A | A kind of prodrug small molecule containing different nitro heteroaromatics that pyridiniujm is modified | 20190718 |
CN-107383136-B | Gemcitabine ProTide hypoxia-activated prodrug and application thereof | 20160809 |
US-2019192547-A1 | Gemcitabine protide hypoxia-activated prodrug and application thereof | 20160809 |
WO-2018028494-A1 | Gemcitabine protide hypoxia-activated prodrug and application thereof | 20160809 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.9990142 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.9990142 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 94.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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