4-(Hydroxymethyl)tetrahydrothiopyran 1,1-Dioxide - CAS 473254-28-3

Catalog:	BB026256
Product Name:	4-(Hydroxymethyl)tetrahydrothiopyran 1,1-Dioxide
CAS:	473254-28-3
Synonyms:	(1,1-dioxo-4-thianyl)methanol; (1,1-dioxothian-4-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(1,1-dioxothian-4-yl)methanol
Description:	4-(Hydroxymethyl)tetrahydrothiopyran 1,1-Dioxide (CAS# 473254-28-3) is a useful research chemical.
Molecular Weight:	164.22
Molecular Formula:	C6H12O3S
Canonical SMILES:	C1CS(=O)(=O)CCC1CO
InChI:	InChI=1S/C6H12O3S/c7-5-6-1-3-10(8,9)4-2-6/h6-7H,1-5H2
InChI Key:	ZWCOGBJQBIIEPG-UHFFFAOYSA-N
LogP:	0.88430

Publication Number	Title	Priority Date
US-2020140456-A1	N/o-linked degrons and degronimers for protein degradation	20170620
AU-2017380282-A1	Pyran derivatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors	20161222
US-2019359601-A1	Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors	20161222
US-10717726-B2	Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors	20161222
US-2020299280-A1	Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors	20161222

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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:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.05071541
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.05071541
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3