Tetrahydrothiopyran-4-ol - CAS 29683-23-6

Catalog:	BB020281
Product Name:	Tetrahydrothiopyran-4-ol
CAS:	29683-23-6
Synonyms:	4-thianol; thian-4-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	thian-4-ol
Description:	Tetrahydrothiopyran-4-ol (CAS# 29683-23-6) is a useful research chemical.
Molecular Weight:	118.20
Molecular Formula:	C5H10OS
Canonical SMILES:	C1CSCCC1O
InChI:	InChI=1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
InChI Key:	YODQQARABJQLIP-UHFFFAOYSA-N
Boiling Point:	218.8 °C at 760 mmHg
Density:	1.148 g/cm³
Appearance:	Solid
MDL:	MFCD02942489
LogP:	0.87430

Publication Number	Title	Priority Date
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020228756-A1	Inhibitor containing bicyclic derivative, preparation method therefor and use thereof	20190514
CN-112368283-A	Bicyclic derivative-containing inhibitor, preparation method and application thereof	20190514
US-2020108083-A1	Boron Containing PDE4 Inhibitors	20181005
WO-2020070651-A1	Boron containing pde4 inhibitors	20181005

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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, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	50
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.04523611
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.04523611
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7