1-thionitrosodecane

C10H21NS — CID 87353659

IUPAC1-thionitrosodecane
SMILESCCCCCCCCCCN=S
InChIInChI=1S/C10H21NS/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKeyHTYGEHQWJQLDJM-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.86
Rot. Bonds9

About 1-thionitrosodecane

1-thionitrosodecane (PubChem CID 87353659) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-thionitrosodecane.

Molecular Properties

Compound Name1-thionitrosodecane
PubChem CID87353659
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-thionitrosodecane
SMILESCCCCCCCCCCN=S
InChIInChI=1S/C10H21NS/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKeyHTYGEHQWJQLDJM-UHFFFAOYSA-N
XLogP3.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-isothiocyanatotetracosane
CID 175827875
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of 1-thionitrosodecane?
The IUPAC name of 1-thionitrosodecane (CID 87353659) is 1-thionitrosodecane.
What is the SMILES notation for 1-thionitrosodecane?
The canonical SMILES for 1-thionitrosodecane is CCCCCCCCCCN=S.
What is the InChIKey of 1-thionitrosodecane?
The InChIKey is HTYGEHQWJQLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3.
What are the key properties of 1-thionitrosodecane?
1-thionitrosodecane has a molecular weight of 187.35 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thionitrosodecane is sourced from PubChem (CID 87353659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).