N-(propylamino)methanethioamide

C4H10N2S — CID 20506674

IUPACN-(propylamino)methanethioamide
SMILESCCCNNC=S
InChIInChI=1S/C4H10N2S/c1-2-3-5-6-4-7/h4-5H,2-3H2,1H3,(H,6,7)
InChIKeyHECUEABNIAMMGA-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.45
Rot. Bonds4

About N-(propylamino)methanethioamide

N-(propylamino)methanethioamide (PubChem CID 20506674) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is N-(propylamino)methanethioamide.

Molecular Properties

Compound NameN-(propylamino)methanethioamide
PubChem CID20506674
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC NameN-(propylamino)methanethioamide
SMILESCCCNNC=S
InChIInChI=1S/C4H10N2S/c1-2-3-5-6-4-7/h4-5H,2-3H2,1H3,(H,6,7)
InChIKeyHECUEABNIAMMGA-UHFFFAOYSA-N
XLogP0.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
Butylthiosemicarbazide
CID 23054747
N-(propan-2-ylamino)methanethioamide
CID 20506656
N-(ethylamino)methanethioamide
CID 20506708
N'-butylethanethiohydrazide
CID 57097174
N-(pentylamino)methanethioamide
CID 87450889
2-(2-Ethylhydrazinyl)ethanethial
CID 88002650
N'-methylpropanethiohydrazide
CID 88274201
1-Imino-3-(propylamino)thiourea
CID 153968231
1-Amino-3-(propylamino)thiourea
CID 154127857
N'-ethylethanethiohydrazide
CID 156242480
Cyclopropylhydrazine;methanethioamide
CID 159984246

Frequently Asked Questions

What is the IUPAC name of N-(propylamino)methanethioamide?
The IUPAC name of N-(propylamino)methanethioamide (CID 20506674) is N-(propylamino)methanethioamide.
What is the SMILES notation for N-(propylamino)methanethioamide?
The canonical SMILES for N-(propylamino)methanethioamide is CCCNNC=S.
What is the InChIKey of N-(propylamino)methanethioamide?
The InChIKey is HECUEABNIAMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-2-3-5-6-4-7/h4-5H,2-3H2,1H3,(H,6,7).
What are the key properties of N-(propylamino)methanethioamide?
N-(propylamino)methanethioamide has a molecular weight of 118.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylamino)methanethioamide is sourced from PubChem (CID 20506674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).