4-Phenylthiazole-2-thiol - CAS 2103-88-0

Catalog:	BB016554
Product Name:	4-Phenylthiazole-2-thiol
CAS:	2103-88-0
Synonyms:	4-phenyl-3H-1,3-thiazole-2-thione

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Computed Properties

IUPAC Name:	4-phenyl-3H-1,3-thiazole-2-thione
Description:	4-Phenylthiazole-2-thiol (CAS# 2103-88-0) is used in the synthesis of novel azabicyclo derivatives.
Molecular Weight:	193.29
Molecular Formula:	C9H7NS2
Canonical SMILES:	C1=CC=C(C=C1)C2=CSC(=S)N2
InChI:	InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChI Key:	CYCKHTAVNBPQDB-UHFFFAOYSA-N
Boiling Point:	333.1 °C at 760 mmHg
Density:	1.37 g/cm³
Solubility:	Insoluble in water
Appearance:	White crystalline powder
MDL:	MFCD00014508
LogP:	3.09880

Publication Number	Title	Priority Date
WO-2021198695-A1	Method of detecting an analyte in a medium comprising a light scattering constituent	20200403
CN-111057269-A	2-thiothiazolinyl or 2-thioimidazolinyl terminated mercaptosilane coupling agent and synthesis method and application thereof	20191218
CN-111057269-B	2-thiothiazolinyl or 2-thioimidazolinyl terminated mercaptosilane coupling agent and synthesis method and application thereof	20191218
WO-2021111139-A1	Method	20191204
WO-2021111125-A1	Method of characterising a target polypeptide using a nanopore	20191202

PMID	Publication Date	Title	Journal
20055453	20100211	Rational design of indoleamine 2,3-dioxygenase inhibitors	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.00199157
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.00199157
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5