Basic information
- CAS
5398-29-8- Standard SMILES
N=C(N)SCCC(=O)O- InChIKey
ICCLGNPZARKJKF-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2S
- Average molar mass
- 148.19 g/mol
- Monoisotopic mass
- 148.03064868
Names & identifiers
- Preferred name
- Propanoic acid, 3-[(aminoiminomethyl)thio]-
- IUPAC
- 3-carbamimidoylsulfanylpropanoic acid
- English name
- 3-Isothioureidopropionic acid
- Molecular formula
- C4H8N2O2S
- Molecular weight
- 148.18
Names & synonyms
5398-29-83-(Amidinothio)propionic acid3-[(aminoiminomethyl)thio]propanoic acidbeta-Isothiureidopropionic acid3-(Aminoiminomethyl)thiopropanoic acidELW4MN66TDPropionic acid, 3-(amidinothio)-Propanoic acid, 3-((aminoiminomethyl)thio)-Propanoic acid, 3-[(aminoiminomethyl)thio]-NSC 4453NSC-4453EINECS 226-430-0
Show more names
ATPN3-((Imino(mercapto)3-amidinothiopropanoic acid3-Isothioureidopropionicaci3-ISOTHIOUREIDOPROPIONIC ACIDNickel plating impurity removerS-CARBOXYETHYLISOTHIURONIUM BETAINE3-(Carbamimidoylthio)propanoic acid2-(carbamothioylamino)propanoic acid
AI3-18125DTXSID308624513-((aminoiminomethyl)thio)propanoic acidRefChem:869341I2-Isothiureidopropionic acidDTXCID70207680Propionic acid, 3-(amidinothio)-(8CI)Propanoic acid, 3-(aminoiminomethyl)thio-
Database identifiers
- CAS
5398-29-8- PubChem CID
- 79387
- DTXSID
DTXSID30862451- ChEMBL
CHEMBL20443- UNII
- ELW4MN66TD
- EC Number
- 226-430-0
- Nikkaji
- J51.069F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 323.4 · 323.4±44.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- vapor pressure
- 0 · 0.0±1.5 mmHg at 25°C
- refractive index
- 1.607 · 1.607
- Flash point
- 149.4 · 149.4±28.4 °C
- storage temp.
- Sealed in dry, Room Temperature
- pka
- 3.98 · 3.98±0.10(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- 12.01 g/L · 12.01g/L at 20℃
- InChI
- InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)
- InChIKey
- ICCLGNPZARKJKF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCSC(N)=N
- LogP
- -2.16 at · -2.16 at 24℃
- FDA UNII
- 4 MN66TD · ELW4MN66TD
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
H301 (57.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: propanoic acid, 3-[(aminoiminomethyl)thio]-
REACH registered substance: 3-(amidinothio)propionic acid (EC: 226-430-0)
Propanoic acid, 3-(aminoiminomethyl)thio-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (57.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- Hazard statements
- H301-H317-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-[(aminoiminomethyl)thio]-: ACTIVE
Applications
Uses3-Isothioureidopropionic acid can be used as brightener for nickel plating, improve the covering ability of low current area in nickel electroplating, and impurity tolerance agent. It can improve the ability of deep plating in low area and has the effect of anti-impurity, but the larger amount will lead to loss of light.
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
河南赢创生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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