N-(2-cyclopropylhydrazinyl)methanethioamide

C4H9N3S — CID 175288722

IUPACN-(2-cyclopropylhydrazinyl)methanethioamide
SMILESS=CNNNC1CC1
InChIInChI=1S/C4H9N3S/c8-3-5-7-6-4-1-2-4/h3-4,6-7H,1-2H2,(H,5,8)
InChIKeyVTXLVHJPMSIKMZ-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-cyclopropylhydrazinyl)methanethioamide

N-(2-cyclopropylhydrazinyl)methanethioamide (PubChem CID 175288722) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is N-(2-cyclopropylhydrazinyl)methanethioamide.

Molecular Properties

Compound NameN-(2-cyclopropylhydrazinyl)methanethioamide
PubChem CID175288722
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC NameN-(2-cyclopropylhydrazinyl)methanethioamide
SMILESS=CNNNC1CC1
InChIInChI=1S/C4H9N3S/c8-3-5-7-6-4-1-2-4/h3-4,6-7H,1-2H2,(H,5,8)
InChIKeyVTXLVHJPMSIKMZ-UHFFFAOYSA-N
XLogP-0.30
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylhydrazinyl)methanethioamide?
The IUPAC name of N-(2-cyclopropylhydrazinyl)methanethioamide (CID 175288722) is N-(2-cyclopropylhydrazinyl)methanethioamide.
What is the SMILES notation for N-(2-cyclopropylhydrazinyl)methanethioamide?
The canonical SMILES for N-(2-cyclopropylhydrazinyl)methanethioamide is S=CNNNC1CC1.
What is the InChIKey of N-(2-cyclopropylhydrazinyl)methanethioamide?
The InChIKey is VTXLVHJPMSIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c8-3-5-7-6-4-1-2-4/h3-4,6-7H,1-2H2,(H,5,8).
What are the key properties of N-(2-cyclopropylhydrazinyl)methanethioamide?
N-(2-cyclopropylhydrazinyl)methanethioamide has a molecular weight of 131.20 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylhydrazinyl)methanethioamide is sourced from PubChem (CID 175288722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).