bis(cyanosulfanyl)cobalt hydrate

• ChemBase ID: 137375
• Molecular Formular: C2H2CoN2OS2
• Molecular Mass: 193.11328
• Monoisotopic Mass: 192.89404969
• SMILES: C(#N)S[Co]SC#N.O
• Canonical SMILES: N#CS[Co]SC#N.O
• InChI: InChI=1S/2CHNS.Co.H2O/c2*2-1-3;;/h2*3H;;1H2/q;;+2;/p-2
• InChIKey: ZJHVGDJHSOKFNZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyanosulfanyl)cobalt hydrate
• IUPAC Traditional name: bis(cyanosulfanyl)cobalt hydrate
• Synonyms: Cobalt(II) thiocyanate hydrate; 硫氰酸钴(II) 水合物

Database IDs

• CAS Number: 97126-35-7
• EC Number: 221-156-8
• MDL Number: MFCD00149649
• PubChem SID: 162231638
• PubChem CID: 57357037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6092
• LogD (pH = 7.4): 0.6092
• Log P: 0.6092
• Molar Refractivity: 28.8982 cm^3
• Polarizability: 13.591152 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-32-50/53
• Safety Statements: 13-36/37-46-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Empirical Formula (Hill Notation): C2CoN2S2 · xH2O