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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Thiobenzoic acid - technical grade, ≥90% , CAS No.98-91-9
GRADE & PURITY Technical grade ? Technical grade — industrial-quality purity with no tight impurity guarantees. Use for large-scale or non-critical processes where cost matters most. ≥90% Synonyms
benzenecarbothioc acid | EINECS 202-712-9 | Benzenecarbothioic S-acid | Benzoyl thiol | Q27279013 | D78412 | Benzenecarbothioic acid | monothiolbenzoic acid | BDBM50366037 | Thiobenzoicacid | NSC66502 | NSC-66502 | SCHEMBL37017 | Thiobenzoesaure | CCRIS 8
Storage
Store at 2-8°C,Argon charged
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Why this grade technical grade, ≥90% Grado técnico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
benzenecarbothioc acid | EINECS 202-712-9 | Benzenecarbothioic S-acid | Benzoyl thiol | Q27279013 | D78412 | Benzenecarbothioic acid | monothiolbenzoic acid | BDBM50366037 | Thiobenzoicacid | NSC66502 | NSC-66502 | SCHEMBL37017 | Thiobenzoesaure | CCRIS 8
Especificaciones y pureza
technical grade, ≥90%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C,Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas
C1=CC=C(C=C1)C(=O)S
IUPAC Name
benzenecarbothioic S-acid
InChIKey
UIJGNTRUPZPVNG-UHFFFAOYSA-N
INCHI
1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Isómeros SMILES
C1=CC=C(C=C1)C(=O)S
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acids and derivatives Alternative Parents Thiobenzoic acids and derivatives Benzoyl derivatives Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Carboxylic acids and derivatives Alkylthiols Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Carbothioic s-acid - Carbodithioic acid - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Air sensitive；Heat sensitive Índice de refracción 1.60 Punto de inflamación (°C) 94 °C Punto de ebullición (°C) 87 °C/10 mmHg Punto de fusión (°C) 20 °C Peso molecular 138.190 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 138.014 Da Monoisotopic Mass 138.014 Da Topological Polar Surface Area 18.100 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 105.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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