1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane

C10H18Cl4S — CID 22211748

IUPAC1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane
SMILESCC(Cl)C(CCl)CSCC(CCl)C(C)Cl
InChIInChI=1S/C10H18Cl4S/c1-7(13)9(3-11)5-15-6-10(4-12)8(2)14/h7-10H,3-6H2,1-2H3
InChIKeyRPMILSZNKBHSRI-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.68
Rot. Bonds8

About 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane

1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane (PubChem CID 22211748) has the molecular formula C10H18Cl4S and a molecular weight of 312.13 g/mol. Its IUPAC name is 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane.

Molecular Properties

Compound Name1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane
PubChem CID22211748
Molecular FormulaC10H18Cl4S
Molecular Weight312.13 g/mol
Exact Mass309.99
IUPAC Name1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane
SMILESCC(Cl)C(CCl)CSCC(CCl)C(C)Cl
InChIInChI=1S/C10H18Cl4S/c1-7(13)9(3-11)5-15-6-10(4-12)8(2)14/h7-10H,3-6H2,1-2H3
InChIKeyRPMILSZNKBHSRI-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.68
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

1,3-dichloro-2-(chloromethyl)butane
CID 87685520
1,2-dichloropropane;titanium
CID 88762967
2-[[3-hydroxy-2-(hydroxymethyl)butyl]sulfanylmethyl]butane-1,3-diol
CID 88767613
1,2,3,4-tetrachloropentane
CID 14572537
1-chloro-3-(2-methylbutylsulfanyl)propan-2-ol
CID 107746916
1,1,3-trichloro-2-methylpropane
CID 23268512
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
1-(1,2-dichloroethoxy)ethyl acetate
CID 19766036
2-bromo-1-chloropropane
CID 18175
1-chloro-2-methylpropane;methanol
CID 88619830
1-(2,2-difluoroethylsulfanyl)-2-methylpropane
CID 126994381

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane?
The IUPAC name of 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane (CID 22211748) is 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane.
What is the SMILES notation for 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane?
The canonical SMILES for 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane is CC(Cl)C(CCl)CSCC(CCl)C(C)Cl.
What is the InChIKey of 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane?
The InChIKey is RPMILSZNKBHSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl4S/c1-7(13)9(3-11)5-15-6-10(4-12)8(2)14/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane?
1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane has a molecular weight of 312.13 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane is sourced from PubChem (CID 22211748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).