2(5H)-Thiophenone - CAS 3354-32-3

Catalog:	BB021762
Product Name:	2(5H)-Thiophenone
CAS:	3354-32-3
Synonyms:	2H-thiophen-5-one

Technical Data

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Computed Properties

IUPAC Name:	2H-thiophen-5-one
Description:	2(5H)-Thiophenone (CAS# 3354-32-3 ) is a useful research chemical.
Molecular Weight:	100.14
Molecular Formula:	C4H4OS
Canonical SMILES:	C1C=CC(=O)S1
InChI:	InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
InChI Key:	NMSLUAZZTFUUFZ-UHFFFAOYSA-N
Boiling Point:	208.1 °C at 760 mmHg
Density:	1.284 g/cm³
MDL:	MFCD00074876
LogP:	0.81600

Publication Number	Title	Priority Date
CN-109942480-A	A kind of synthetic method of aromatic ring diindyl -5- alcohol compound	20190506
US-2019292671-A1	Metal matrix nanocomposite containing oriented graphene sheets and production process	20180326
US-2019292672-A1	Production process for metal matrix nanocomposite containing oriented graphene sheets	20180326
WO-2019191014-A1	Metal matrix nanocomposite containing oriented graphene sheets and production process	20180326
US-2019292675-A1	Process for graphene-mediated metallization of polymer films	20180320

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.99828592
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	99.99828592
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8