chloro-tris(prop-2-enyl)-λ4-sulfane

C54H90Cl6S6 — CID 139919519

IUPACchloro-tris(prop-2-enyl)-λ4-sulfane
SMILESC=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C
InChIInChI=1S/6C9H15ClS/c6*1-4-7-11(10,8-5-2)9-6-3/h6*4-6H,1-3,7-9H2
InChIKeyJNIGEITXNFBBKQ-UHFFFAOYSA-N
MW1144.43 g/mol
LogP21.02
Rot. Bonds36

About chloro-tris(prop-2-enyl)-λ4-sulfane

chloro-tris(prop-2-enyl)-λ4-sulfane (PubChem CID 139919519) has the molecular formula C54H90Cl6S6 and a molecular weight of 1144.43 g/mol. Its IUPAC name is chloro-tris(prop-2-enyl)-λ4-sulfane.

Molecular Properties

Compound Namechloro-tris(prop-2-enyl)-λ4-sulfane
PubChem CID139919519
Molecular FormulaC54H90Cl6S6
Molecular Weight1144.43 g/mol
Exact Mass1140.35
IUPAC Namechloro-tris(prop-2-enyl)-λ4-sulfane
SMILESC=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C
InChIInChI=1S/6C9H15ClS/c6*1-4-7-11(10,8-5-2)9-6-3/h6*4-6H,1-3,7-9H2
InChIKeyJNIGEITXNFBBKQ-UHFFFAOYSA-N
XLogP21.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.43
LogP ≤ 521.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222
1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride
CID 174457967
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
sodium;ethene;prop-2-ene-1-sulfonate
CID 174838535
CID 174758420
CID 174758420
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
CID 173451818
CID 173451818
CID 173241572
CID 173241572

Frequently Asked Questions

What is the IUPAC name of chloro-tris(prop-2-enyl)-λ4-sulfane?
The IUPAC name of chloro-tris(prop-2-enyl)-λ4-sulfane (CID 139919519) is chloro-tris(prop-2-enyl)-λ4-sulfane.
What is the SMILES notation for chloro-tris(prop-2-enyl)-λ4-sulfane?
The canonical SMILES for chloro-tris(prop-2-enyl)-λ4-sulfane is C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.C=CCS(Cl)(CC=C)CC=C.
What is the InChIKey of chloro-tris(prop-2-enyl)-λ4-sulfane?
The InChIKey is JNIGEITXNFBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H15ClS/c6*1-4-7-11(10,8-5-2)9-6-3/h6*4-6H,1-3,7-9H2.
What are the key properties of chloro-tris(prop-2-enyl)-λ4-sulfane?
chloro-tris(prop-2-enyl)-λ4-sulfane has a molecular weight of 1144.43 g/mol, XLogP of 21.02, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(prop-2-enyl)-λ4-sulfane is sourced from PubChem (CID 139919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).