5331-91-9 R9099U429R 5-Chloro-2-mercaptobenzothiazole 2-Benzothiazolethiol, 5-chloro- 2(3H)-Benzothiazolethione, 5-chloro- (9CI) Benzothiazole, 5-chloro-2-mercapto- 5-Chloro-2-benzothiazolethiol EINECS 226-235-0 NSC 3934 SH-Benzothiazole UNII-R9099U429R CAS 5331-91-9

Purity 97%+In StockPharmaceutical Standards
CAS No.5331-91-9
Molecular FormulaC7H12ClNS2
Molecular Weight209.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5331-91-9 R9099U429R 5-Chloro-2-mercaptobenzothiazole 2-Benzothiazolethiol, 5-chloro- 2(3H)-Benzothiazolethione, 5-chloro- (9CI) Benzothiazole, 5-chloro-2-mercapto- 5-Chloro-2-benzothiazolethiol EINECS 226-235-0 NSC 3934 SH-Benzothiazole UNII-R9099U429R CAS 5331-91-9 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5331-91-9 R9099U429R 5-Chloro-2-mercaptobenzothiazole 2-Benzothiazolethiol, 5-chloro- 2(3H)-Benzothiazolethione, 5-chloro- (9CI) Benzothiazole, 5-chloro-2-mercapto- 5-Chloro-2-benzothiazolethiol EINECS 226-235-0 NSC 3934 SH-Benzothiazole UNII-R9099U429R.

5331-91-9 R9099U429R 5-Chloro-2-mercaptobenzothiazole 2-Benzothiazolethiol, 5-chloro- 2(3H)-Benzothiazolethione, 5-chloro- (9CI) Benzothiazole, 5-chloro-2-mercapto- 5-Chloro-2-benzothiazolethiol EINECS 226-235-0 NSC 3934 SH-Benzothiazole UNII-R9099U429R (CAS 5331-91-9) is a high-purity analytical reference standard with the molecular formula C7H12ClNS2 and a molecular weight of 209.76 g/mol.

Structurally, 5331-91-9 R9099U429R 5-Chloro-2-mercaptobenzothiazole 2-Benzothiazolethiol, 5-chloro- 2(3H)-Benzothiazolethione, 5-chloro- (9CI) Benzothiazole, 5-chloro-2-mercapto- 5-Chloro-2-benzothiazolethiol EINECS 226-235-0 NSC 3934 SH-Benzothiazole UNII-R9099U429R (C7H12ClNS2) contains a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 209.76 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC7H12ClNS2
Molecular Weight209.76 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1958
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms2

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