Basic information
- CAS
23256-33-9- Standard SMILES
CN(C)CCCSC(=N)N.Cl.Cl- InChIKey
DFWCPLGXFMSUCW-UHFFFAOYSA-N- Molecular formula
- C6H17Cl2N3S
- Average molar mass
- 234.19 g/mol
- Monoisotopic mass
- 233.0520241
Overview
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Names & identifiers
- Preferred name
- Dimaprit hydrochloride
- IUPAC
- 3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
- English name
- Dimaprit dihydrochloride
- Molecular formula
- C6H16ClN3S
- Molecular weight
- 197.73
Names & synonyms
Dimaprit hydrochlorideDTXSID90177831RefChem:1083651DTXCID50100322Diamaprit-2HClDimaprit 2HCl3-(dimethylamino)propyl carbamimidothioate dihydrochlorideUSAF PD-40Dimaprit (hydrochloride)Dimaprit (dihydrochloride)2-(3'-Dimethylaminopropylthio)pseudourea dihydrochloride3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
Show more names
usafpd-40Dimaprit dihydrochlodimaprithydrochlorideDimaprit dihydrochlorideDFWCPLGXFMSUCW-UHFFFAOYSA-NDimaprit dihydrochloride >=98% (NMR)Dimaprit dihydrochloride, H2 agonistS-(3-DIMETHYLAMINOPROPYL)ISOTHIOUREA 2HCL
[3-(carbamimidoylsulfanyl)propyl]dimethylamine dihydrochlorideMFCD00069260Dimaprit-2HClSR-01000597945DIMAPRITDIHYDROCHLORIDE2-(3-Dimethylaminopropyl)-2-thiopseudourea dihydrochlorideYA9T6FF9RAC6H17Cl2N3S
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- storage temp.
- Desiccate at RT
- solubility
- 2 O: · H2O: ≥50mg/mL
- form
- powder
- color
- white to off-white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- InChI
- 1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
- InChIKey
- DFWCPLGXFMSUCW-UHFFFAOYSA-N
- SMILES
- Cl.Cl.CN(C)CCCSC(N)=N
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesHistamine H2 receptor agonist
Suppliers34 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
4 records
Compound notes
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