5-Methylthiophene-3-carboxylic Acid - CAS 19156-50-4

Catalog:	BB014821
Product Name:	5-Methylthiophene-3-carboxylic Acid
CAS:	19156-50-4
Synonyms:	5-methyl-3-thiophenecarboxylic acid; 5-methylthiophene-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-methylthiophene-3-carboxylic acid
Description:	5-Methylthiophene-3-carboxylic Acid (CAS# 19156-50-4) is a useful research chemical.
Molecular Weight:	142.18
Molecular Formula:	C6H6O2S
Canonical SMILES:	CC1=CC(=CS1)C(=O)O
InChI:	InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:	VFORWJLUXKGLAH-UHFFFAOYSA-N
Boiling Point:	274.7 °C at 760 mmHg
Density:	1.319 g/cm³
MDL:	MFCD01680229
LogP:	1.75470

Publication Number	Title	Priority Date
BR-112019017058-A2	compounds such as pde1 inhibitors, pharmaceutical composition and use thereof	20171220
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220
TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220
TW-201927784-A	As a major ring of PDE1 inhibitors	20171220
US-10618913-B2	Macrocycles as PDE1 inhibitors	20171220

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.00885060
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.00885060
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5