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Propane, 1,1'-thiobis(3-chloro-

HCID 96273
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Basic information

CAS
55882-21-8
Standard SMILES
ClCCCSCCCCl
InChIKey
VDTHWBLOSZIMMN-UHFFFAOYSA-N
Molecular formula
C6H12Cl2S
Average molar mass
187.13 g/mol
Monoisotopic mass
186.0036769

Names & identifiers

Preferred name
Propane, 1,1'-thiobis(3-chloro-
IUPAC
1-chloro-3-(3-chloropropylsulfanyl)propane

Names & synonyms

55882-21-8Propane, 1,1'-thiobis(3-chloro-Bis(3-chloropropyl) sulfidebis-(3-chloro-propyl)-sulfidePropane, 1,1'-thiobis[3-chloro-Bis(3-chloropropyl)sulfide1-Chloro-3-[(3-chloropropyl)sulfanyl]propaneSCHEMBL1184928DTXSID00204480NSC64633NSC 64633NSC-64633
Show more names
1-Chloro-3-[(3-chloropropyl)sulfanyl]propane #

Database identifiers

CAS
55882-21-8
PubChem CID
96273
DTXSID
DTXSID00204480
Nikkaji
J707.655J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
9
Formal charge
0
Complexity
44.3

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

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