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

Technical Data

Patents

Computed Properties

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 °C 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

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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