2-Aminothiophene-3-carbonitrile - CAS 4651-82-5

Catalog:	BB026146
Product Name:	2-Aminothiophene-3-carbonitrile
CAS:	4651-82-5
Synonyms:	2-aminothiophene-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-aminothiophene-3-carbonitrile
Description:	2-Aminothiophene-3-carbonitrile (CAS# 4651-82-5) is a useful research chemical.
Molecular Weight:	124.16
Molecular Formula:	C5H4N2S
Canonical SMILES:	C1=CSC(=C1C#N)N
InChI:	InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2
InChI Key:	XVGHZFWFGXDIOU-UHFFFAOYSA-N
Boiling Point:	317.5 °C at 760 mmHg
Melting Point:	104 °C
Purity:	98 %
Density:	1.33 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00706298
LogP:	1.78318

Publication Number	Title	Priority Date
CN-112661754-A	Polycyclic compound for inhibiting RNA helicase DHX33	20201230
CN-111153897-A	Overcharge-preventing additive for lithium battery electrolyte and preparation method thereof	20200216
CN-111153897-B	Overcharge-preventing additive for lithium battery electrolyte and preparation method thereof	20200216
CN-111233692-A	Citronellac acid amide derivative and preparation method and application thereof	20200119
US-2020181153-A1	Imidazopyridazinone compounds and uses thereof	20181210

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.00951931
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.00951931
Rotatable Bond Count:	0
Topological Polar Surface Area:	78 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5