isoquinoline-5-sulfinyl chloride

C9H6ClNOS — CID 130933243

IUPACisoquinoline-5-sulfinyl chloride
SMILESO=S(Cl)c1cccc2cnccc12
InChIInChI=1S/C9H6ClNOS/c10-13(12)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChIKeyBWSYAGJPPRPIRU-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.50
Rot. Bonds1

About isoquinoline-5-sulfinyl chloride

isoquinoline-5-sulfinyl chloride (PubChem CID 130933243) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is isoquinoline-5-sulfinyl chloride.

Molecular Properties

Compound Nameisoquinoline-5-sulfinyl chloride
PubChem CID130933243
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC Nameisoquinoline-5-sulfinyl chloride
SMILESO=S(Cl)c1cccc2cnccc12
InChIInChI=1S/C9H6ClNOS/c10-13(12)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChIKeyBWSYAGJPPRPIRU-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(sulfinoamino)isoquinoline
CID 67429142
3,8-phenanthroline
CID 13064691
2-fluoroquinoline-8-sulfinyl chloride
CID 146582363
ethane;isoquinolin-5-amine
CID 143675367
4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
isoquinoline-5-carbothialdehyde
CID 143050226
isoquinolin-5-ylboronic acid
CID 599474
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
1,4-diazepane;isoquinoline-5-sulfonyl chloride
CID 175135065
2-isoquinolin-5-ylacetamide
CID 68785768
1-(1-isoquinolin-5-ylsulfinyl-2,5-dimethylpiperidin-4-yl)ethanamine
CID 143091427

Frequently Asked Questions

What is the IUPAC name of isoquinoline-5-sulfinyl chloride?
The IUPAC name of isoquinoline-5-sulfinyl chloride (CID 130933243) is isoquinoline-5-sulfinyl chloride.
What is the SMILES notation for isoquinoline-5-sulfinyl chloride?
The canonical SMILES for isoquinoline-5-sulfinyl chloride is O=S(Cl)c1cccc2cnccc12.
What is the InChIKey of isoquinoline-5-sulfinyl chloride?
The InChIKey is BWSYAGJPPRPIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-13(12)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H.
What are the key properties of isoquinoline-5-sulfinyl chloride?
isoquinoline-5-sulfinyl chloride has a molecular weight of 211.67 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-5-sulfinyl chloride is sourced from PubChem (CID 130933243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).