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505-14-6 molecular structure
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(cyanodisulfanyl)carbonitrile

ChemBase ID: 129864
Molecular Formular: C2N2S2
Molecular Mass: 116.1648
Monoisotopic Mass: 115.95029001
SMILES and InChIs

SMILES:
N#CSSC#N
Canonical SMILES:
N#CSSC#N
InChI:
InChI=1S/C2N2S2/c3-1-5-6-2-4
InChIKey:
DTMHTVJOHYTUHE-UHFFFAOYSA-N

Cite this record

CBID:129864 http://www.chembase.cn/molecule-129864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cyanodisulfanyl)carbonitrile
IUPAC Traditional name
thiocyanogen
Synonyms
Thiocyanogen
CAS Number
505-14-6
PubChem SID
162224150
PubChem CID
68160
CHEBI ID
30063
Chemspider ID
61468
Wikipedia Title
Thiocyanogen

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1563432  LogD (pH = 7.4) 1.1563432 
Log P 1.1563432  Molar Refractivity 28.8982 cm3
Polarizability 10.399979 Å3 Polar Surface Area 47.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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