nonanethioyl chloride

C9H17ClS — CID 54550885

IUPACnonanethioyl chloride
SMILESCCCCCCCCC(=S)Cl
InChIInChI=1S/C9H17ClS/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
InChIKeyZJVKFDKGUNNYRF-UHFFFAOYSA-N
MW192.75 g/mol
LogP4.30
Rot. Bonds7

About nonanethioyl chloride

nonanethioyl chloride (PubChem CID 54550885) has the molecular formula C9H17ClS and a molecular weight of 192.75 g/mol. Its IUPAC name is nonanethioyl chloride.

Molecular Properties

Compound Namenonanethioyl chloride
PubChem CID54550885
Molecular FormulaC9H17ClS
Molecular Weight192.75 g/mol
Exact Mass192.07
IUPAC Namenonanethioyl chloride
SMILESCCCCCCCCC(=S)Cl
InChIInChI=1S/C9H17ClS/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
InChIKeyZJVKFDKGUNNYRF-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.75
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decane;hypochlorous acid
CID 88775425
tridecane-7-thione
CID 13433382
19,20-dichlorooctatriacont-19-ene
CID 141390822
6-methylidenedodecane
CID 21453027
octadecane-9,10-dithione
CID 118647989
6-methylidenetetradecane
CID 21477883
tricosane-12-thione
CID 175705265
hexane;hypochlorous acid
CID 88775298
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenetricosane
CID 139983205
nonadecanoyl chloride
CID 4250939
4-methylidenenonadecane
CID 139983203

Frequently Asked Questions

What is the IUPAC name of nonanethioyl chloride?
The IUPAC name of nonanethioyl chloride (CID 54550885) is nonanethioyl chloride.
What is the SMILES notation for nonanethioyl chloride?
The canonical SMILES for nonanethioyl chloride is CCCCCCCCC(=S)Cl.
What is the InChIKey of nonanethioyl chloride?
The InChIKey is ZJVKFDKGUNNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClS/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3.
What are the key properties of nonanethioyl chloride?
nonanethioyl chloride has a molecular weight of 192.75 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonanethioyl chloride is sourced from PubChem (CID 54550885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).