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3448-12-2 molecular structure
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3-hydrazinyl-1λ6-thiolane-1,1-dione

ChemBase ID: 113259
Molecular Formular: C4H10N2O2S
Molecular Mass: 150.1994
Monoisotopic Mass: 150.04629857
SMILES and InChIs

SMILES:
S1(=O)(=O)CC(CC1)NN
Canonical SMILES:
NNC1CCS(=O)(=O)C1
InChI:
InChI=1S/C4H10N2O2S/c5-6-4-1-2-9(7,8)3-4/h4,6H,1-3,5H2
InChIKey:
DBBOTJJFLMUEIN-UHFFFAOYSA-N

Cite this record

CBID:113259 http://www.chembase.cn/molecule-113259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydrazinyl-1λ6-thiolane-1,1-dione
IUPAC Traditional name
3-hydrazinyl-1λ6-thiolane-1,1-dione
Synonyms
(1,1-Dioxidotetrahydrothien-3-yl)hydrazine hydrochloride
(1,1-Dioxidotetrahydro-3-thienyl)hydrazine
CAS Number
3448-12-2
MDL Number
MFCD00050640
MFCD00270815
PubChem SID
162098415
PubChem CID
103013

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 103013 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.113107  LogD (pH = 7.4) -2.031179 
Log P -2.0300307  Molar Refractivity 45.4467 cm3
Polarizability 14.463603 Å3 Polar Surface Area 72.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
-1.61 expand Show data source
Purity
95+% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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