(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine

C10H13ClS — CID 142780867

IUPAC(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine
SMILESCCS1(Cl)/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C10H13ClS/c1-2-12(11)9-7-5-3-4-6-8-10-12/h3-10H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyHRHFKJSSOBZFHC-RSIYVSQUSA-N
MW200.73 g/mol
LogP4.12
Rot. Bonds1

About (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine

(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine (PubChem CID 142780867) has the molecular formula C10H13ClS and a molecular weight of 200.73 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine
PubChem CID142780867
Molecular FormulaC10H13ClS
Molecular Weight200.73 g/mol
Exact Mass200.04
IUPAC Name(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine
SMILESCCS1(Cl)/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C10H13ClS/c1-2-12(11)9-7-5-3-4-6-8-10-12/h3-10H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyHRHFKJSSOBZFHC-RSIYVSQUSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.73
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine?
The IUPAC name of (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine (CID 142780867) is (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine.
What is the SMILES notation for (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine?
The canonical SMILES for (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine is CCS1(Cl)/C=C\C=C/C=C\C=C/1.
What is the InChIKey of (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine?
The InChIKey is HRHFKJSSOBZFHC-RSIYVSQUSA-N. The full InChI is InChI=1S/C10H13ClS/c1-2-12(11)9-7-5-3-4-6-8-10-12/h3-10H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-.
What are the key properties of (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine?
(2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine has a molecular weight of 200.73 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z)-1-chloro-1-ethylthionine is sourced from PubChem (CID 142780867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).