3-propoxypropanethioamide

C6H13NOS — CID 43248084

IUPAC3-propoxypropanethioamide
SMILESCCCOCCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-4-8-5-3-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyCJUFZZMZEMJTRN-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.09
Rot. Bonds5

About 3-propoxypropanethioamide

3-propoxypropanethioamide (PubChem CID 43248084) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-propoxypropanethioamide.

Molecular Properties

Compound Name3-propoxypropanethioamide
PubChem CID43248084
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-propoxypropanethioamide
SMILESCCCOCCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-4-8-5-3-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyCJUFZZMZEMJTRN-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.09
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

3-hexoxypropanethioamide
CID 29002450
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
2-butoxyethanethioamide
CID 43267695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
4-(2-methoxyethoxy)butanethioamide
CID 24699894
4-(3-methoxypropoxy)butanethioamide
CID 60917615
pentanethioamide;hydrochloride
CID 140974365

Frequently Asked Questions

What is the IUPAC name of 3-propoxypropanethioamide?
The IUPAC name of 3-propoxypropanethioamide (CID 43248084) is 3-propoxypropanethioamide.
What is the SMILES notation for 3-propoxypropanethioamide?
The canonical SMILES for 3-propoxypropanethioamide is CCCOCCC(N)=S.
What is the InChIKey of 3-propoxypropanethioamide?
The InChIKey is CJUFZZMZEMJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-4-8-5-3-6(7)9/h2-5H2,1H3,(H2,7,9).
What are the key properties of 3-propoxypropanethioamide?
3-propoxypropanethioamide has a molecular weight of 147.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxypropanethioamide is sourced from PubChem (CID 43248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).