CID 159121999

C5H11KNS2 — CID 159121999

IUPAC—
SMILESCCCCSC(N)=S.[K]
InChIInChI=1S/C5H11NS2.K/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);
InChIKeyKFURQRHZYFMJRC-UHFFFAOYSA-N
MW188.38 g/mol
LogP1.38
Rot. Bonds3

About CID 159121999

CID 159121999 (PubChem CID 159121999) has the molecular formula C5H11KNS2 and a molecular weight of 188.38 g/mol.

Molecular Properties

Compound NameCID 159121999
PubChem CID159121999
Molecular FormulaC5H11KNS2
Molecular Weight188.38 g/mol
Exact Mass188.00
IUPAC Name—
SMILESCCCCSC(N)=S.[K]
InChIInChI=1S/C5H11NS2.K/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);
InChIKeyKFURQRHZYFMJRC-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

heptyl carbamodithioate
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CID 87342350
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CID 174927157
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CID 157163681
butylsulfanylthiourea
CID 141412692
pentyl ethanedithioate
CID 157162445
[amino(butylsulfanyl)methylidene]-diethylazanium chloride
CID 159882133
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
copper;2-hydroxyethyl carbamodithioate
CID 160591055

Frequently Asked Questions

What is the IUPAC name of CID 159121999?
The IUPAC name of CID 159121999 (CID 159121999) is not available.
What is the SMILES notation for CID 159121999?
The canonical SMILES for CID 159121999 is CCCCSC(N)=S.[K].
What is the InChIKey of CID 159121999?
The InChIKey is KFURQRHZYFMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.K/c1-2-3-4-8-5(6)7;/h2-4H2,1H3,(H2,6,7);.
What are the key properties of CID 159121999?
CID 159121999 has a molecular weight of 188.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159121999 is sourced from PubChem (CID 159121999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).