1-chloroprop-1-ene;sulfane

C3H7ClS — CID 20975730

IUPAC1-chloroprop-1-ene;sulfane
SMILESCC=CCl.S
InChIInChI=1S/C3H5Cl.H2S/c1-2-3-4;/h2-3H,1H3;1H2
InChIKeyCJWYEAWGUAXLMJ-UHFFFAOYSA-N
MW110.61 g/mol
LogP1.87
Rot. Bonds

About 1-chloroprop-1-ene;sulfane

1-chloroprop-1-ene;sulfane (PubChem CID 20975730) has the molecular formula C3H7ClS and a molecular weight of 110.61 g/mol. Its IUPAC name is 1-chloroprop-1-ene;sulfane.

Molecular Properties

Compound Name1-chloroprop-1-ene;sulfane
PubChem CID20975730
Molecular FormulaC3H7ClS
Molecular Weight110.61 g/mol
Exact Mass110.00
IUPAC Name1-chloroprop-1-ene;sulfane
SMILESCC=CCl.S
InChIInChI=1S/C3H5Cl.H2S/c1-2-3-4;/h2-3H,1H3;1H2
InChIKeyCJWYEAWGUAXLMJ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.61
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-ene;sulfane?
The IUPAC name of 1-chloroprop-1-ene;sulfane (CID 20975730) is 1-chloroprop-1-ene;sulfane.
What is the SMILES notation for 1-chloroprop-1-ene;sulfane?
The canonical SMILES for 1-chloroprop-1-ene;sulfane is CC=CCl.S.
What is the InChIKey of 1-chloroprop-1-ene;sulfane?
The InChIKey is CJWYEAWGUAXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl.H2S/c1-2-3-4;/h2-3H,1H3;1H2.
What are the key properties of 1-chloroprop-1-ene;sulfane?
1-chloroprop-1-ene;sulfane has a molecular weight of 110.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-ene;sulfane is sourced from PubChem (CID 20975730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).