3-chloro-2-propoxythiolane

C7H13ClOS — CID 14869215

IUPAC3-chloro-2-propoxythiolane
SMILESCCCOC1SCCC1Cl
InChIInChI=1S/C7H13ClOS/c1-2-4-9-7-6(8)3-5-10-7/h6-7H,2-5H2,1H3
InChIKeyYGHATMIQNVBUEU-UHFFFAOYSA-N
MW180.70 g/mol
LogP2.48
Rot. Bonds3

About 3-chloro-2-propoxythiolane

3-chloro-2-propoxythiolane (PubChem CID 14869215) has the molecular formula C7H13ClOS and a molecular weight of 180.70 g/mol. Its IUPAC name is 3-chloro-2-propoxythiolane.

Molecular Properties

Compound Name3-chloro-2-propoxythiolane
PubChem CID14869215
Molecular FormulaC7H13ClOS
Molecular Weight180.70 g/mol
Exact Mass180.04
IUPAC Name3-chloro-2-propoxythiolane
SMILESCCCOC1SCCC1Cl
InChIInChI=1S/C7H13ClOS/c1-2-4-9-7-6(8)3-5-10-7/h6-7H,2-5H2,1H3
InChIKeyYGHATMIQNVBUEU-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
CID 39232
3-((2-Chloroethyl)sulfanyl)oxolane
CID 121598536
3-Methylthio-4-chlorotetrahydrofuran
CID 129777979
2-(1-Chloroethyl)-5-(chloromethyl)-2-methyl-1,3-oxathiolane
CID 13618519
2-(3-Chloropropyl)-2-ethyl-1,3-oxathiolane
CID 100998761
1,3-Oxathiolane, 2-[[(2-chloroethyl)thio]methyl]-2-methyl-
CID 568481
2-(1-Chloropentyl)-1,3-oxathiolane
CID 21762781
5-(Chloromethyl)-2-methyl-1,3-oxathiolane
CID 12239987
2-(Chloromethyl)-2-methyl-1,3-oxathiolane
CID 19767952
4-(Chloromethyl)-2-methyl-1,3-oxathiolane
CID 21698119
2-Chloro-1-ethylsulfanyl-3-methoxypropane
CID 154089278
2-Chloro-1-ethoxy-3-ethylsulfanylpropane
CID 154107508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propoxythiolane?
The IUPAC name of 3-chloro-2-propoxythiolane (CID 14869215) is 3-chloro-2-propoxythiolane.
What is the SMILES notation for 3-chloro-2-propoxythiolane?
The canonical SMILES for 3-chloro-2-propoxythiolane is CCCOC1SCCC1Cl.
What is the InChIKey of 3-chloro-2-propoxythiolane?
The InChIKey is YGHATMIQNVBUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClOS/c1-2-4-9-7-6(8)3-5-10-7/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-2-propoxythiolane?
3-chloro-2-propoxythiolane has a molecular weight of 180.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propoxythiolane is sourced from PubChem (CID 14869215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).