4-(Methylmercapto)aniline

Modify Date: 2026-07-02 06:19:35

4-(Methylmercapto)aniline structure	Common Name	4-(Methylmercapto)aniline
	CAS Number	104-96-1	Molecular Weight	139.218
	Density	1.1±0.1 g/cm3	Boiling Point	273.3±13.0 °C at 760 mmHg
	Molecular Formula	C₇H₉NS	Melting Point	156 - 158ºC
	MSDS	Chinese USA	Flash Point	119.1±19.8 °C
	Symbol	GHS07	Signal Word	Warning

Summary: 4-(Methylmercapto)aniline, also known as 4-(methyldithio)aniline, has a CAS number of 104-96-1, with a molecular formula of C7H9NS and a molecular weight of 139.218. This substance is a brown-gray to yellow liquid with a foul odor, with a melting point of 156-158°C and a boiling point of 273.3±13.0°C, and a density of 1.1±0.1g/cm³. For research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-(Methylmercapto)aniline
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	273.3±13.0 °C at 760 mmHg
Melting Point	156 - 158ºC
Molecular Formula	C₇H₉NS
Molecular Weight	139.218
Flash Point	119.1±19.8 °C
Exact Mass	139.045563
PSA	51.32000
LogP	1.32
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.612
InChIKey	YKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES	CSc1ccc(N)cc1

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

4-(Methylmercapto)aniline MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BY6302000

CHEMICAL NAME :: Aniline, p-(methylthio)-

CAS REGISTRY NUMBER :: 104-96-1

BEILSTEIN REFERENCE NO. :: 0774506

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H9-N-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 562 mg/kg

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

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83226 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 19 No. of Employees: 2446 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	2810
WGK Germany	3
RTECS	BY6302000
Packaging Group	III
Hazard Class	6.1
HS Code	2930909090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:701-57-5 4-nitrophenyl m... CAS#:104-95-0 4-Bromothioanisole CAS#:123-09-1 4-Chlorophenyl ... CAS#:18620-04-7 4-thioanisolema...
CAS#:98546-51-1 4-(Methylthio)p... CAS#:940-12-5 1-methylsulfiny... CAS#:624-92-0 Dimethyl disulfide CAS#:141814-27-9 2-(2-methoxyeth...
CAS#:1193-02-8 4-Aminothiophenol
DownStream 10
CAS#:5470-49-5 4-(Methylsulfon... CAS#:4052-30-6 4-Methylsulfony... CAS#:371-15-3 4-Fluoro thioanisole CAS#:451-40-1 2-Phenylacetophenone
CAS#:940-76-1 1-FLUORO-4-(TRI... CAS#:35371-03-0 4-Iodophenyl me... CAS#:100-68-5 Thioanisole CAS#:271780-95-1 4-methylsulfany...
CAS#:10352-44-0 4-Acetamidothio... CAS#:1073-72-9 4-Hydroxythioanisole

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-(Methylthio)aniline

4-(Methylmercapto)aniline

MFCD00007889

4-(Methylsulfanyl)aniline

4-Aminothioanisole

4-methylsulfanylaniline

p-Thioanisidine

EINECS 203-256-3

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of 4-(Methylmercapto)aniline?

A: Molecular weight of 4-(Methylmercapto)aniline is 139.218.

Q: What English synonyms does 4-(Methylmercapto)aniline have?

A: English synonyms of 4-(Methylmercapto)aniline: 4-(Methylthio)aniline, 4-(Methylmercapto)aniline, MFCD00007889, 4-(Methylsulfanyl)aniline, 4-Aminothioanisole, 4-methylsulfanylaniline, p-Thioanisidine, EINECS 203-256-3.

Q: What is the InChIKey of 4-(Methylmercapto)aniline?

A: InChIKey of 4-(Methylmercapto)aniline is YKFROQCFVXOUPW-UHFFFAOYSA-N.

Q: What is the SMILES notation of 4-(Methylmercapto)aniline?

A: SMILES notation of 4-(Methylmercapto)aniline is CSc1ccc(N)cc1.

Q: What is the safety information for 4-(Methylmercapto)aniline?

A: Safety information for 4-(Methylmercapto)aniline: S26-S36-S37/39.

Q: What are the upstream materials of 4-(Methylmercapto)aniline?

A: Related upstream materials(CAS) of 4-(Methylmercapto)aniline: 701-57-5;104-95-0;123-09-1;18620-04-7;98546-51-1;940-12-5;624-92-0;141814-27-9;1193-02-8.

Q: What is the melting point of 4-(Methylmercapto)aniline?

A: Melting point of 4-(Methylmercapto)aniline is 156 - 158ºC.

Q: What are the downstream products of 4-(Methylmercapto)aniline?

A: Related downstream products(CAS) of 4-(Methylmercapto)aniline: 5470-49-5;4052-30-6;371-15-3;451-40-1;940-76-1;35371-03-0;100-68-5;271780-95-1;10352-44-0;1073-72-9.

Q: What is the English name of 4-(Methylmercapto)aniline?

A: The English name of 4-(Methylmercapto)aniline is 4-(Methylmercapto)aniline.

Q: What is the polar surface area (PSA) of 4-(Methylmercapto)aniline?

A: Polar surface area (PSA) of 4-(Methylmercapto)aniline is 51.32000.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

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.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-(Methylmercapto)aniline
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-(Methylmercapto)aniline
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: 4-(Methylmercapto)aniline
Price: ￥Inquiry/25kg
Purity: 96.8%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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4-(Methylmercapto)aniline

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