Basic information
- Standard SMILES
Br.Br.N=C(N)SCCCN- InChIKey
JBTDFRNUVWFUGL-UHFFFAOYSA-N- Molecular formula
- C4H13Br2N3S
- Average molar mass
- 295.04 g/mol
- Monoisotopic mass
- 292.91969262
Names & identifiers
- Preferred name
- Pseudourea, 2-(3-aminopropyl)-2-thio-, dihydrobromide
- IUPAC
- 3-aminopropyl carbamimidothioate;dihydrobromide
- English name
- S-(3-Aminopropyl)isothiourea dihydrobromide
- Molecular formula
- C4H13Br2N3S
- Molecular weight
- 295.03912
Names & synonyms
Pseudourea, 2-(3-aminopropyl)-2-thio-, dihydrobromideRefChem:1097122APT (radioprotective)7072-40-4S-(3-Aminopropyl)-ITU dihydrobromideS-(3-aminopropyl)isothiourea dihydrobromide3-aminopropyl carbamimidothioate dihydrobromide3-aminopropyl carbamimidothioate;dihydrobromide3-Aminopropylisothiourea dihydrobromideS-(3-Aminopropyl)thiuronium dihydrobromide3-Aminopropylisothiuronium bromide hydrobromideA 21818
Show more names
NSC-628573-aminopropylthiopseudoureadihydrobromideS-(3-aminopropyl)isothioureadihydrobromidepurum
Carbamimidothioic acid, 3-aminopropyl ester, dihydrobromide[(3-aminopropyl)sulfanyl]methanimidamide dihydrobromideNSC 628573-Aminopropylthiopseudourea dihydrobromideS,gaama-Aminopropylisothiuronium bromide hydrobromideSCHEMBL4434174Carbamimidothioic acid, 3-aminopropyl ester,dihydrobromideJBTDFRNUVWFUGL-UHFFFAOYSA-N
Database identifiers
- CAS
7072-40-4- PubChem CID
- 145992
- DTXSID
DTXSID501373805
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.7
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Safety Statements
- 22 · 22-24/25
- RTECS
- 535000 · UM0535000
Safety & regulation
Safety data
- rtecs
- UM0535000
- safety_code
- 22-24/25
Chemistry & industry
Suppliers7 total
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
南京美博生物科技有限公司025-58619198 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
上海雅吉生物科技有限公司021-34661275 15301693058 · [email protected]
Related reactions
5 records
Linked notes
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