Basic information
- CAS
139-86-6- Standard SMILES
N[C@@H](Cc1cccs1)C(=O)O- InChIKey
WTOFYLAWDLQMBZ-LURJTMIESA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.03539953
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- beta-2-Thienyl-L-alanine
- IUPAC
- (2S)-2-amino-3-thiophen-2-ylpropanoic acid
- English name
- 3-Thiophenepropanoic acid, alpha-amino-
- Molecular weight
- 0
Names & synonyms
3-(2-Thienyl)-L-alanineL-3-(2-Thienyl)alaninebeta-2-thienyl-l-alaninebeta-(2-THIENYL)-L-ALANINE2EMW41BM772-Thiophenepropanoic acid, alpha-amino-, (alphaS)-(2S)-2-amino-3-(thiophen-2-yl)propanoic acidH-2THI-OH2-THI22574-47-6DTXSID00177100.BETA.-2-THIENYL-L-ALANINE
Show more names
α-Amino-3-thiophenepropionic acid2-Amino-3-(3-thienyl)propionic acid
.BETA.-(2-THIENYL)-L-ALANINE3-Thiophenepropanoic acid, alpha-amino-AI3-618152-THIOPHENEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.S)-RefChem:567103DTXCID3099591205-378-2635-003-1
Database identifiers
- CAS
139-86-6、22574-47-6、22951-96-8- PubChem CID
- 146719
- DTXSID
DTXSID00177100- ChEMBL
CHEMBL1236302- UNII
- 2EMW41BM77
- EC Number
- 205-378-2、635-003-1
- Nikkaji
- J215.765I
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Chemistry & industry
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
8 records
Compound notes
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