2-(carboxymethylthio)benzoic acid

Modify Date: 2025-08-26 15:36:57

2-(carboxymethylthio)benzoic acid structure	Common Name	2-(carboxymethylthio)benzoic acid
	CAS Number	135-13-7	Molecular Weight	212.22200
	Density	1.49 g/cm3	Boiling Point	423ºC at 760 mmHg
	Molecular Formula	C₉H₈O₄S	Melting Point	208 °C
	MSDS	N/A	Flash Point	209.6ºC

Name	2-(carboxymethylsulfanyl)benzoic acid
Synonym	More Synonyms

Density	1.49 g/cm3
Boiling Point	423ºC at 760 mmHg
Melting Point	208 °C
Molecular Formula	C₉H₈O₄S
Molecular Weight	212.22200
Flash Point	209.6ºC
Exact Mass	212.01400
PSA	99.90000
LogP	1.56150
Vapour Pressure	6.55E-08mmHg at 25°C
InChIKey	GMBZSYUPMWCDGK-UHFFFAOYSA-N
SMILES	O=C(O)CSc1ccccc1C(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4975500

CHEMICAL NAME :: Benzoic acid, (2-carboxymethylthio)-

CAS REGISTRY NUMBER :: 135-13-7

BEILSTEIN REFERENCE NO. :: 2109941

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H8-O4-S

MOLECULAR WEIGHT :: 212.23

WISWESSER LINE NOTATION :: QV1SR BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00457

Hazard Codes	T
Safety Phrases	S22-S24/25
RTECS	DG4975500
HS Code	2930909090

Precursor 10
CAS#:119-80-2 2,2′-dithiodibe... CAS#:79-11-8 Chloroacetic acid CAS#:118-92-3 Anthranilic acid CAS#:124-38-9 Carbon dioxide
CAS#:100-68-5 Thioanisole CAS#:19614-16-5 o-Bromo(methylt... CAS#:17333-86-7 Phenyldiazonium... CAS#:68-11-1 Mercaptoacetic acid
CAS#:860696-98-6 2-methoxycarbon... CAS#:147-93-3 Thiosalicylic acid
DownStream 9
CAS#:520-72-9 1-Benzothiophen... CAS#:10134-98-2 BENZO[B]THIOPHE... CAS#:13134-76-4 METHYL 3-HYDROX... CAS#:14006-54-3 3-Chloro-1-benz...
CAS#:130-03-0 Benzo[b]thiophe... CAS#:24434-82-0 1-benzothiophen... CAS#:6252-78-4 sodium 2-[3-(4-... CAS#:6287-88-3 methyl 2-(metho...
CAS#:65-85-0 benzoic acid

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979

Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity

Name: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Base...
Source: Broad Institute
Target: Hsf1 protein
External Id: 2038-03_Inhibitor_Dose_CherryPick_Activity_Set4

Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA

Total 115, Current Page 1 of 12

EINECS 205-178-5

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2-Carboxyphenylthioglycolic acid

2-<(carboxymethyl)thio>benzoic acid

o-Carboxyphenylthioglycollic acid

(o-Carboxyphenylthio)acetic acid

2-(Carboxymethylthio)benzoic acid

2-(3-FLUOROPHENYL)ACETOPHENONE

2-(carbomethylthio)benzoic acid

MFCD00021761

2-carboxymethylsulfanyl-benzoic acid

(S-Phenyl-thioglykolsaeure)-o-carbonsaeure

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2-(carboxymethylthio)benzoic acid
Price: Check
Purity: 97.0%
Delivery: 10 Day
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzoic acid,2-[(carboxymethyl)thio]-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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2-(carboxymethylthio)benzoic acid

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2-(carboxymethylthio)benzoic acidBioassay

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.