Basic information
- Standard SMILES
CSc1ccccc1N- InChIKey
WBRPQQSADOCKCH-UHFFFAOYSA-N- Molecular formula
- C7H9NS
- Average molar mass
- 139.22 g/mol
- Monoisotopic mass
- 139.04557029
Overview
2-(Methylthio)aniline is an aryl sulfide.
Names & identifiers
- Preferred name
- 2-(Methylthio)aniline
- IUPAC
- 2-methylsulfanylaniline
- English name
- 2-(METHYLTHIO)ANILINE
- Molecular formula
- C7H9NS
- Molecular weight
- 139.22
Names & synonyms
2-(Methylthio)aniline2987-53-3Benzenamine, 2-(methylthio)-NSC-41588NSC-62853FA2L2YY5KZDTXSID80183986NSC-9425RefChem:461427DTXCID20106477221-055-92-Aminothioanisole
Show more names
methioanilineo-MethioanilineO-AMINOTHIOANISOLE2-(Methylthio)aniline>2-(Methylthio)aniline 96%
2-methylsulfanylaniline2-(Methylmercapto)aniline2-(Methylsulfanyl)aniline2-Methylmercaptoanilineo-Thioanisidineo-(methylthio)aniline2-(methylthio)benzenamineMFCD00007708
Database identifiers
- CAS
2987-53-3- PubChem CID
- 76337
- DTXSID
DTXSID80183986- ChEBI
CHEBI:194955- UNII
- FA2L2YY5KZ
- EC Number
- 221-055-9
- Nikkaji
- J80.611K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP1.2
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Boiling point
- 234 °C · 234 °C(lit.)
- Density
- 1.111 g/mL · 1.111 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.624(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Powder and/or Chunks
- pka
- 3.45 · 3.45(at 25℃)
- Specific Gravity
- 1.111 · 1.111
- color
- White to light beige
- Water Solubility
- Soluble in water (less).
- BRN
- 386211 · 386211
- InChI
- 1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
- InChIKey
- WBRPQQSADOCKCH-UHFFFAOYSA-N
- SMILES
- CSc1ccccc1N
- CAS DataBase Reference
- 2987 · 2987-53-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2 · 2-Methylmercaptoaniline(2987-53-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36/37
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1138333 · CY1138333
- F
- 2 · 2-8-10-13
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (85.7%)
Safety data
- F
- 2-8-10-13
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CY1138333
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29309090
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36/37
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Uses2-(Methylthio)aniline used as important raw material and intermediate used in organic Synthesis, pharmaceuticals and agrochemicals.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
Additional notes
DefinitionChEBI: 2-(Methylthio)aniline is an aryl sulfide.
Related reactions
17 records
Linked notes
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