Tetrahydrothiopyran-4-carbaldehyde - CAS 50675-19-9

Catalog:	BB027176
Product Name:	Tetrahydrothiopyran-4-carbaldehyde
CAS:	50675-19-9
Synonyms:	4-thianecarboxaldehyde; thiane-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	thiane-4-carbaldehyde
Description:	Tetrahydrothiopyran-4-carbaldehyde (CAS# 50675-19-9) is a useful research chemical.
Molecular Weight:	130.21
Molecular Formula:	C6H10OS
Canonical SMILES:	C1CSCCC1C=O
InChI:	InChI=1S/C6H10OS/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
InChI Key:	BQIZZLLLLJVFQT-UHFFFAOYSA-N
Boiling Point:	217 °C at 760 mmHg
Density:	1.157 g/cm³
Appearance:	Solid
MDL:	MFCD03425266
LogP:	1.32850

Publication Number	Title	Priority Date
WO-2021038068-A1	Alpha-d-galactopyranoside derivatives	20190829
CN-111217810-A	Azacyclodiketone compound and preparation method thereof	20181123
JP-2019529522-A	Tricyclic sulfones as RORÎ³ regulators	20161010
KR-20190057388-A	Tricyclicsulfone as ROR gamma modifier	20161010
AU-2016330029-A1	Isoindolinone inhibitors of the MDM2-p53 interaction having anticancer activity	20150929

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[87-88-7]
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[1427004-19-0]
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[1383427-98-2]
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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	76.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.04523611
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.04523611
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8