-
Name
PROPYLENE DIISOTHIURONIUM DIBROMIDE
- EINECS 226-635-5
- CAS No. 5442-32-0
- Article Data10
- CAS DataBase
- Density g/cm3
- Solubility
- Melting Point
- Formula C5H12 N4 S2 . 2 Br H
- Boiling Point 343.8°Cat760mmHg
- Molecular Weight 354.133
- Flash Point 161.7°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx.
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms Pseudourea,2,2'-trimethylenebis[2-thio-, dihydrobromide (7CI,8CI);Carbamimidothioicacid, 1,3-propanediyl ester, dihydrobromide (9CI);
- PSA 150.34000
- LogP 3.18800
Propane diisothiourea dihydrobromide Chemical Properties
IUPAC Name: 3-carbamimidoylsulfanylpropyl carbamimidothioate dihydrobromide
Empirical Formula: C5H14Br2N4S2
Molecular Weight: 354.1295g/mol
H-Bond Donor: 4
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 353.900616
MonoIsotopic Mass: 351.902663
Topological Polar Surface Area: 99.7
Heavy Atom Count: 13
Formal Charge: 0
Complexity 131
Flash Point: 161.7 °C
Enthalpy of Vaporization: 58.77 kJ/mol
Boiling Point: 343.8 °C at 760 mmHg
Vapour Pressure: 6.86E-05 mmHg at 25°C
Canonical SMILES: C(CSC(=N)N)CSC(=N)N.Br.Br
InChI: InChI=1S/C5H12N4S2.2BrH/c6-4(7)10-2-1-3-11-5(8)9;;/h1-3H2,(H3,6,7)(H3,8,9);2*1H
InChIKey: VKQIPFNBHQJEQV-UHFFFAOYSA-N
Structure of Propane diisothiourea dihydrobromide (CAS NO.5442-32-0):
.bmp)
Propane diisothiourea dihydrobromide Toxicity Data With Reference
| 1. | ipr-mus LD50:250 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
Propane diisothiourea dihydrobromide Consensus Reports
Reported in EPA TSCA Inventory.
Propane diisothiourea dihydrobromide Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx.
Propane diisothiourea dihydrobromide Specification
Propane diisothiourea dihydrobromide , its cas register number is 5442-32-0. It also can be called 2,2'-Trimethylenebis(2-thiopseudourea) dihydrobromide ; AI3-62287 ; EINECS 226-635-5 ; NSC 12755 Pseudourea, 2,2'-trimethylenebis(2-thio-, dihydrobromide ; Pseudourea, 2,2'-trimethylenedithiodi-, dihydrobromide ; Pseudourea, propanebis(2'-thio-, dihydrobromide . When heated to decomposition it emits very toxic fumes of HBr, SOx, and NOx. Wear suitable protective clothing and gloves when contact with Propane diisothiourea dihydrobromide (CAS NO.5442-32-0).
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