1,3-bis(3-chloroprop-2-enylsulfanyl)propane

C9H14Cl2S2 — CID 156598313

IUPAC1,3-bis(3-chloroprop-2-enylsulfanyl)propane
SMILESClC=CCSCCCSCC=CCl
InChIInChI=1S/C9H14Cl2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h1-2,4-5H,3,6-9H2
InChIKeyLXBPMKOLPPLDTG-UHFFFAOYSA-N
MW257.25 g/mol
LogP4.35
Rot. Bonds8

About 1,3-bis(3-chloroprop-2-enylsulfanyl)propane

1,3-bis(3-chloroprop-2-enylsulfanyl)propane (PubChem CID 156598313) has the molecular formula C9H14Cl2S2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1,3-bis(3-chloroprop-2-enylsulfanyl)propane.

Molecular Properties

Compound Name1,3-bis(3-chloroprop-2-enylsulfanyl)propane
PubChem CID156598313
Molecular FormulaC9H14Cl2S2
Molecular Weight257.25 g/mol
Exact Mass255.99
IUPAC Name1,3-bis(3-chloroprop-2-enylsulfanyl)propane
SMILESClC=CCSCCCSCC=CCl
InChIInChI=1S/C9H14Cl2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h1-2,4-5H,3,6-9H2
InChIKeyLXBPMKOLPPLDTG-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sulfide, allyl 2-chloroethyl
CID 87944
1-Chloro-3-[(3-chloroprop-2-EN-1-YL)sulfanyl]prop-1-ene
CID 71356509
1,3-Bis(2-chloro-prop-2-en-1-ylsulfanyl)propane
CID 101888639
2-Chloro-3-(1-chloroprop-1-en-3-ylsulfanyl)-prop-1-ene
CID 129747376
1,10-Dichloro-4,7-dithiadeca-1,9-diene
CID 129750210
2-Chloro-3-(3-chloroprop-2-enylsulfanyl)prop-2-ene-1-thiol
CID 57188796
1-Chloro-3-prop-2-enylsulfanylprop-1-ene
CID 75790753
3-Chloro-3-prop-2-enylsulfanylprop-1-ene
CID 87318937
(E)-1-chloro-4-[(E)-4-chlorobut-2-enyl]sulfanylbut-2-ene
CID 87909022
3-Chloro-3-(1-chloroprop-2-enylsulfanyl)prop-1-ene
CID 88187457
4-Chloro-3-(1-chlorobut-3-en-2-ylsulfanyl)but-1-ene
CID 88717538
1-Chloro-4-(4-chlorobut-2-enylsulfanyl)but-2-ene
CID 90967946

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-chloroprop-2-enylsulfanyl)propane?
The IUPAC name of 1,3-bis(3-chloroprop-2-enylsulfanyl)propane (CID 156598313) is 1,3-bis(3-chloroprop-2-enylsulfanyl)propane.
What is the SMILES notation for 1,3-bis(3-chloroprop-2-enylsulfanyl)propane?
The canonical SMILES for 1,3-bis(3-chloroprop-2-enylsulfanyl)propane is ClC=CCSCCCSCC=CCl.
What is the InChIKey of 1,3-bis(3-chloroprop-2-enylsulfanyl)propane?
The InChIKey is LXBPMKOLPPLDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h1-2,4-5H,3,6-9H2.
What are the key properties of 1,3-bis(3-chloroprop-2-enylsulfanyl)propane?
1,3-bis(3-chloroprop-2-enylsulfanyl)propane has a molecular weight of 257.25 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-chloroprop-2-enylsulfanyl)propane is sourced from PubChem (CID 156598313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).