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Basic information
- CAS
5445-68-1- Standard SMILES
CCN(CC)CCSC(=N)N.Cl- InChIKey
HQPKXVDUSOJXEB-UHFFFAOYSA-N- Molecular formula
- C7H18ClN3S
- Average molar mass
- 211.76 g/mol
- Monoisotopic mass
- 211.0909965
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-(diethylamino)ethyl carbamimidothioate;hydrochloride
Names & synonyms
5445-68-1Pseudourea, 2-(2-diethylaminoethyl)-2-thio-, hydrochlorideDTXSID30202853RefChem:1080985DTXCID60125344Carbamimidothioic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)226-652-8USAF A-1732-Diethylaminoethyl isothiouronium chlorideEINECS 226-652-8NSC 221242-(2-(Diethylamino)ethyl)isothiourea monohydrochloride
Show more names
Pseudourea, 2-thio-, 2-diethylaminoethyl-, chlorideWLN: MUYZS2N2&2 &GHMTKXWZOKWMNLFL-UHFFFAOYSA-NPseudourea, 2-(2-(diethylamino)ethyl)-2-thio-, hydrochlorideNSC22124Carbamimidothioic acid, 2-(diethylamino)ethyl ester, monohydrochlorideNSC-221242-(Diethylamino)ethyl isothiouronium chloride
Database identifiers
- CAS
5445-68-1- PubChem CID
- 79519
- EC Number
- 226-652-8
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
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Compound notes
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