Tetrahydrothiopyran-4-methanol - CAS 100277-27-8

Catalog:	BB000155
Product Name:	Tetrahydrothiopyran-4-methanol
CAS:	100277-27-8
Synonyms:	4-thianylmethanol; thian-4-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	thian-4-ylmethanol
Description:	Tetrahydrothiopyran-4-methanol (CAS# 100277-27-8) is a useful research chemical.
Molecular Weight:	132.22
Molecular Formula:	C6H12OS
Canonical SMILES:	C1CSCCC1CO
InChI:	InChI=1S/C6H12OS/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChI Key:	LMVCLDAMMNHILO-UHFFFAOYSA-N
Boiling Point:	233.4 °C at 760 mmHg
Density:	1.061 g/cm³
Appearance:	Colorless liquid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD09966150
LogP:	1.12190

Publication Number	Title	Priority Date
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
WO-2019185025-A1	Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor	20180330
CN-111868059-A	Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors	20180330
WO-2019141202-A1	Tam family kinase /and csf1r kinase inhibitor and use thereof	20180117

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GHS Hazard Statement:	H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	59.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.06088618
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.06088618
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9