Basic information
- CAS
16111-27-6- Standard SMILES
CN(C)CCSC(=N)N.Cl.Cl- InChIKey
FXBRVWUWVBAZKC-UHFFFAOYSA-N- Molecular formula
- C5H13N3S.2ClH
- Average molar mass
- 220.16 g/mol
- Monoisotopic mass
- 219.0363741
Names & identifiers
- Preferred name
- Nordimaprit dihydrochloride
- IUPAC
- 2-(dimethylamino)ethyl carbamimidothioate;dihydrochloride
- English name
- S-(2-Dimethylaminoethyl)isothiourea dihydrochloride
- Molecular formula
- C5H15Cl2N3S
- Molecular weight
- 220.16
Names & synonyms
Nordimaprit dihydrochlorideDTXSID7066013RefChem:166593DTXCID803518816111-27-62-(dimethylamino)ethyl carbamimidothioate dihydrochlorideS-[2-(Dimethylamino)ethyl]isothiourea DihydrochlorideMFCD00060161Nordimaprit 2HClS-(2-Dimethylaminoethyl)isothiourea dihydrochlorideS-(2-Dimethylaminoethyl)isothiourea diHClSKF 91487
Show more names
PBA-1skf91487PBA-1,2HClnordimapritDimethylaminoethylisothioureadihydrochloride2-[2-(dimethylamino)ethyl]-2-thiopseudourea. 2HCl2-[2-(Dimethylammonio)ethyl]isothiouroniumdichlorid
Carbamimidothioic acid, 2-(dimethylamino)ethyl ester, hydrochloride (1:2)2-(2-(Dimethylamino)ethyl)-2-thiopseudourea dihydrochlorideEINECS 240-281-9NSC 395212-[2-(Dimethylamino)ethyl]-2-thiopseudourea dihydrochlorideCarbamimidothioic acid, 2-(dimethylamino)ethyl ester, dihydrochloride2-Dimethylaminoethylisothiuronium chloride hydrochlorideS-(2-(Dimethylamino)ethyl)pseudothiourea dihydrochloride
Database identifiers
- CAS
16111-27-6- PubChem CID
- 85295
- EC Number
- 240-281-9
Properties
Computed structural properties
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 92.2
Physicochemical properties
- Melting point
- 181 °C · 181°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- almost transparency
- InChI
- InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
- InChIKey
- FXBRVWUWVBAZKC-UHFFFAOYSA-N
- SMILES
- S(CCN(C)C)C(=N)N.Cl.Cl
- EPA Substance Registry System
- 2 · 2-[2-(Dimethylamino)ethyl]-2-thiopseudourea dihydrochloride (16111-27-6)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- RTECS
- 3770000 · UM3770000
- TSCA
- TSCA listed
- HS Code
- 2930.9 · 2930.90.2900
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 150 mg/kg YKKZAJ 92,442,72
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
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Carbamimidothioic acid, 2-(dimethylamino)ethyl ester, dihydrochloride
Hazard Classes and CategoriesAcute Tox. 4 (40%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- UM3770000
- hs_code
- 2930.90.2900
- Toxicity
- LD50 ipr-mus: 150 mg/kg YKKZAJ 92,442,72
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamimidothioic acid, 2-(dimethylamino)ethyl ester, hydrochloride (1:2): ACTIVE
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [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]
TCI Chemicals (India) Pvt. Ltd.[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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