1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane

C4H8Cl2S — CID 87373874

IUPAC1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane
SMILESCC(Cl)S[C@@H](C)Cl
InChIInChI=1S/C4H8Cl2S/c1-3(5)7-4(2)6/h3-4H,1-2H3/t3-,4?/m0/s1
InChIKeyYLMWJABSFQMYNP-WUCPZUCCSA-N
MW159.08 g/mol
LogP2.89
Rot. Bonds2

About 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane

1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane (PubChem CID 87373874) has the molecular formula C4H8Cl2S and a molecular weight of 159.08 g/mol. Its IUPAC name is 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane.

Molecular Properties

Compound Name1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane
PubChem CID87373874
Molecular FormulaC4H8Cl2S
Molecular Weight159.08 g/mol
Exact Mass157.97
IUPAC Name1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane
SMILESCC(Cl)S[C@@H](C)Cl
InChIInChI=1S/C4H8Cl2S/c1-3(5)7-4(2)6/h3-4H,1-2H3/t3-,4?/m0/s1
InChIKeyYLMWJABSFQMYNP-WUCPZUCCSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.08
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro(trimethyl)phosphanium
CID 15830224
magnesium;2-chloropropane;dichloride
CID 158508799
CID 118356908
CID 118356908
1,2-dichloropropane;titanium
CID 88762967
bis(2-methylpropane);dihydrochloride
CID 174914375
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
bromo-chloro-dimethylphosphanium
CID 23415191
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1R)-1-bromo-1-chloroethane
CID 96570687
1-(1-chloroethylsulfanyl)propane
CID 13227161
1-chloro-1-phosphorosoethane;dihydrochloride
CID 174698766

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane?
The IUPAC name of 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane (CID 87373874) is 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane.
What is the SMILES notation for 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane?
The canonical SMILES for 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane is CC(Cl)S[C@@H](C)Cl.
What is the InChIKey of 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane?
The InChIKey is YLMWJABSFQMYNP-WUCPZUCCSA-N. The full InChI is InChI=1S/C4H8Cl2S/c1-3(5)7-4(2)6/h3-4H,1-2H3/t3-,4?/m0/s1.
What are the key properties of 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane?
1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane has a molecular weight of 159.08 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane is sourced from PubChem (CID 87373874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).