Basic information
- CAS
104163-35-1- Standard SMILES
Cc1ccsc1CN- InChIKey
SWZNXCABBUKIPZ-UHFFFAOYSA-N- Molecular formula
- C6H9NS
- Average molar mass
- 127.21 g/mol
- Monoisotopic mass
- 127.04557046
Names & identifiers
- Preferred name
- (3-Methylthiophen-2-yl)methanamine
- IUPAC
- (3-methylthiophen-2-yl)methanamine
- English name
- (3-Methyl-2-thienyl)methylamine
- Molecular formula
- C6H9NS
- Molecular weight
- 127.21
Names & synonyms
(3-methylthiophen-2-yl)methanamine104163-35-1DTXSID10384025RefChem:207767DTXCID80335049679-009-2(3-Methyl-2-Thienyl)Methylamine1-(3-methyl-2-thienyl)methanamineMFCD020939881-(3-METHYLTHIOPHEN-2-YL)METHANAMINE2-Aminomethyl-3-methylthiophene(3-Methyl-2-thienyl)methanamine
Show more names
Compound Fr14173BUTTPARK 48\08-67RARECHEM AL BW 05443-Methylthien-2-ylmethylamine3-METHYL-2-THIOPHENEMETHYLAMINE
1-(3-methyl-2-thienyl)methanamine hydrochloride3-Methylthiophene-2-methylamine2-(Aminomethyl)-3-methylthiophene(3-Methylthien-2-yl)methylamine3-metylthiophene-2-metylamineSCHEMBL243040orb3170180SCHEMBL5842007
Database identifiers
- CAS
104163-35-1- PubChem CID
- 2798756
- DTXSID
DTXSID10384025- EC Number
- 679-009-2
- Nikkaji
- J2.035.431C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Boiling point
- 78 °C · 78°C 4mm
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- refractive index
- 1.5565 · 1.5565
- Flash point
- 78 °C/4mm · 78°C/4mm
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 9 · 9.00±0.29(Predicted)
- Sensitive
- Air Sensitive
- BRN
- 108864 · 108864
- InChI
- 1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
- InChIKey
- SWZNXCABBUKIPZ-UHFFFAOYSA-N
- SMILES
- Cc1ccsc1CN
- CAS DataBase Reference
- 104163 · 104163-35-1(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- hs_code
- 2934999090
- risk_code
- 34-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Suppliers22 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
范德(北京)生物科技有限责任公司
Related reactions
19 records
Compound notes
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