N-(2-Thienylmethylidene)hydroxylamine - CAS 29683-84-9

Catalog:	BB020283
Product Name:	N-(2-Thienylmethylidene)hydroxylamine
CAS:	29683-84-9
Synonyms:	(2E)-2-thiophenecarboxaldehyde oxime; (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine

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Computed Properties

IUPAC Name:	(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
Description:	N-(2-Thienylmethylidene)hydroxylamine (CAS# 29683-84-9) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	C1=CSC(=C1)C=NO
InChI:	InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChI Key:	GASLBPLHYRZLLT-GQCTYLIASA-N
Boiling Point:	212.8 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD00022509
LogP:	1.55620

Publication Number	Title	Priority Date
CA-2783859-A1	N6-substituted adenosine derivatives and n6-substituted adenine derivatives and uses thereof	20091210
EP-2511283-A1	N6-substituted adenosine derivatives, n6-substituted adenine derivatives and uses thereof	20091210
US-10174033-B2	N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof	20091210
US-2013045942-A1	N6-substituted adenosine derivatives and n6-substituted adenine derivatives and uses thereof	20091210
TW-I352705-B	Thienopyrazoles	20030908

PMID	Publication Date	Title	Journal
16995687	20060929	Effect of structure in benzaldehyde oximes on the formation of aldehydes and nitriles under photoinduced electron-transfer conditions	The Journal of organic chemistry

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Related Functional Groups

Nitrogen Compounds

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[1170836-25-5]
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[2006278-12-0]
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[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[7492-88-8]
3-piperidinecarbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	94.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9