4-(2-chloroprop-2-enylsulfanyl)oxane

C8H13ClOS — CID 130735830

IUPAC4-(2-chloroprop-2-enylsulfanyl)oxane
SMILESC=C(Cl)CSC1CCOCC1
InChIInChI=1S/C8H13ClOS/c1-7(9)6-11-8-2-4-10-5-3-8/h8H,1-6H2
InChIKeyGGPFGNAZLFWJCV-UHFFFAOYSA-N
MW192.71 g/mol
LogP2.65
Rot. Bonds3

About 4-(2-chloroprop-2-enylsulfanyl)oxane

4-(2-chloroprop-2-enylsulfanyl)oxane (PubChem CID 130735830) has the molecular formula C8H13ClOS and a molecular weight of 192.71 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylsulfanyl)oxane.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylsulfanyl)oxane
PubChem CID130735830
Molecular FormulaC8H13ClOS
Molecular Weight192.71 g/mol
Exact Mass192.04
IUPAC Name4-(2-chloroprop-2-enylsulfanyl)oxane
SMILESC=C(Cl)CSC1CCOCC1
InChIInChI=1S/C8H13ClOS/c1-7(9)6-11-8-2-4-10-5-3-8/h8H,1-6H2
InChIKeyGGPFGNAZLFWJCV-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.71
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorobut-2-enylsulfanyl)oxane
CID 77051228
4-[2-(Chloromethyl)prop-2-enylsulfanyl]oxane
CID 103066304
4-(3,3-Dichloroprop-2-enylsulfanyl)oxane
CID 126835862
4-Prop-2-enylsulfanyloxane
CID 126992669
4-(2-Chloroprop-2-enylsulfonyl)oxane
CID 130670138
2-(2-Chloroprop-2-enylsulfanylmethyl)oxolane
CID 131222979
4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
CID 131246691
4-[(E)-2,3-dichloroprop-2-enyl]sulfanyloxane
CID 133615613
3-[(E)-2,3-dichloroprop-2-enyl]sulfanyloxane
CID 133667076
3-[(E)-3-chloro-2-methylprop-2-enyl]sulfanyloxane
CID 133679317

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylsulfanyl)oxane?
The IUPAC name of 4-(2-chloroprop-2-enylsulfanyl)oxane (CID 130735830) is 4-(2-chloroprop-2-enylsulfanyl)oxane.
What is the SMILES notation for 4-(2-chloroprop-2-enylsulfanyl)oxane?
The canonical SMILES for 4-(2-chloroprop-2-enylsulfanyl)oxane is C=C(Cl)CSC1CCOCC1.
What is the InChIKey of 4-(2-chloroprop-2-enylsulfanyl)oxane?
The InChIKey is GGPFGNAZLFWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClOS/c1-7(9)6-11-8-2-4-10-5-3-8/h8H,1-6H2.
What are the key properties of 4-(2-chloroprop-2-enylsulfanyl)oxane?
4-(2-chloroprop-2-enylsulfanyl)oxane has a molecular weight of 192.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylsulfanyl)oxane is sourced from PubChem (CID 130735830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).