4-[(E)-3-chloroprop-2-enyl]sulfanyloxane

C8H13ClOS — CID 131246691

IUPAC4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
SMILESCl/C=C/CSC1CCOCC1
InChIInChI=1S/C8H13ClOS/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8H,2-3,5-7H2/b4-1+
InChIKeyKJJYQLISZDRHDJ-DAFODLJHSA-N
MW192.71 g/mol
LogP2.65
Rot. Bonds3

About 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane

4-[(E)-3-chloroprop-2-enyl]sulfanyloxane (PubChem CID 131246691) has the molecular formula C8H13ClOS and a molecular weight of 192.71 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
PubChem CID131246691
Molecular FormulaC8H13ClOS
Molecular Weight192.71 g/mol
Exact Mass192.04
IUPAC Name4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
SMILESCl/C=C/CSC1CCOCC1
InChIInChI=1S/C8H13ClOS/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8H,2-3,5-7H2/b4-1+
InChIKeyKJJYQLISZDRHDJ-DAFODLJHSA-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-enylsulfanyl)oxane
CID 130735830
2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane
CID 131248460
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-[(E)-3-chloroprop-2-enyl]sulfanyloxane?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane (CID 131246691) is 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane is Cl/C=C/CSC1CCOCC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane?
The InChIKey is KJJYQLISZDRHDJ-DAFODLJHSA-N. The full InChI is InChI=1S/C8H13ClOS/c9-4-1-7-11-8-2-5-10-6-3-8/h1,4,8H,2-3,5-7H2/b4-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]sulfanyloxane?
4-[(E)-3-chloroprop-2-enyl]sulfanyloxane 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-[(E)-3-chloroprop-2-enyl]sulfanyloxane is sourced from PubChem (CID 131246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).