1,1,2-trichloroethane-1,2-dithiol

C2H3Cl3S2 — CID 149434978

IUPAC1,1,2-trichloroethane-1,2-dithiol
SMILESSC(Cl)C(S)(Cl)Cl
InChIInChI=1S/C2H3Cl3S2/c3-1(6)2(4,5)7/h1,6-7H
InChIKeyNGOJPMGMKCNGJW-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.54
Rot. Bonds1

About 1,1,2-trichloroethane-1,2-dithiol

1,1,2-trichloroethane-1,2-dithiol (PubChem CID 149434978) has the molecular formula C2H3Cl3S2 and a molecular weight of 197.54 g/mol. Its IUPAC name is 1,1,2-trichloroethane-1,2-dithiol.

Molecular Properties

Compound Name1,1,2-trichloroethane-1,2-dithiol
PubChem CID149434978
Molecular FormulaC2H3Cl3S2
Molecular Weight197.54 g/mol
Exact Mass195.87
IUPAC Name1,1,2-trichloroethane-1,2-dithiol
SMILESSC(Cl)C(S)(Cl)Cl
InChIInChI=1S/C2H3Cl3S2/c3-1(6)2(4,5)7/h1,6-7H
InChIKeyNGOJPMGMKCNGJW-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetrachloroethanethiol
CID 57290267
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1,1,2,2-Tetrachloroethane-1,2-diyl)bis[(dichloromethyl)silane]
CID 78064229
1,1,1,2-tetrachloropropane
CID 87557158
1,1,2,2-tetrachloroethanol
CID 18356623
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
2,2,2-trichloro-1-(2-chloro-2-fluoroethyl)sulfanylethanethiol
CID 90702998
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
2-chloro-2-sulfanylacetonitrile
CID 142657547
1,1,1,2-tetrachloroethane;1,1,2,2-tetrachloroethane
CID 23424235
1,1,2,2,3,4,5,5,6,6-decachlorohexane
CID 119097624
trichloro(113C)methane
CID 10176135

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethane-1,2-dithiol?
The IUPAC name of 1,1,2-trichloroethane-1,2-dithiol (CID 149434978) is 1,1,2-trichloroethane-1,2-dithiol.
What is the SMILES notation for 1,1,2-trichloroethane-1,2-dithiol?
The canonical SMILES for 1,1,2-trichloroethane-1,2-dithiol is SC(Cl)C(S)(Cl)Cl.
What is the InChIKey of 1,1,2-trichloroethane-1,2-dithiol?
The InChIKey is NGOJPMGMKCNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3S2/c3-1(6)2(4,5)7/h1,6-7H.
What are the key properties of 1,1,2-trichloroethane-1,2-dithiol?
1,1,2-trichloroethane-1,2-dithiol has a molecular weight of 197.54 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloroethane-1,2-dithiol is sourced from PubChem (CID 149434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).