Cyclopentanethiol - CAS 1679-07-8

Catalog:	BB012430
Product Name:	Cyclopentanethiol
CAS:	1679-07-8
Synonyms:	cyclopentanethiol

Technical Data

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Computed Properties

IUPAC Name:	cyclopentanethiol
Description:	Cyclopentanethiol (CAS# 1679-07-8) is a useful research chemical.
Molecular Weight:	102.20
Molecular Formula:	C5H10S
Canonical SMILES:	C1CCC(C1)S
InChI:	InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChI Key:	WVDYBOADDMMFIY-UHFFFAOYSA-N
Boiling Point:	129 °C (745 torr)
Flash Point:	25 °C(77.0 °F)
Purity:	97 %
Density:	0.955 g/mL at 25 °C (lit.)
Appearance:	Colourless liquid
MDL:	MFCD00001369
LogP:	1.85880
Refractive Index:	1.4902 (lit.)

Publication Number	Title	Priority Date
CN-113264816-A	Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof	20210531
CN-112940149-A	Chitin-based macromolecular chain transfer agent and preparation method and application thereof	20210413
CN-112960655-A	Method for controllably synthesizing near-infrared silver telluride quantum dots	20210318
CN-112321477-A	3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application	20201130
CN-112010897-A	Novel method for preparing thiophosphonate through oxidative dehydrogenation coupling of copper-catalyzed diaryl phosphorus oxide and mercaptan	20200829

PMID	Publication Date	Title	Journal
14761194	20040212	Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant	Journal of medicinal chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	37.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.05032149
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	102.05032149
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8