(2-methylhydrazinyl) thiocyanate

C2H5N3S — CID 57144808

IUPAC(2-methylhydrazinyl) thiocyanate
SMILESCNNSC#N
InChIInChI=1S/C2H5N3S/c1-4-5-6-2-3/h4-5H,1H3
InChIKeyZUKGQZYKKIXNOA-UHFFFAOYSA-N
MW103.15 g/mol
LogP-0.16
Rot. Bonds2

About (2-methylhydrazinyl) thiocyanate

(2-methylhydrazinyl) thiocyanate (PubChem CID 57144808) has the molecular formula C2H5N3S and a molecular weight of 103.15 g/mol. Its IUPAC name is (2-methylhydrazinyl) thiocyanate.

Molecular Properties

Compound Name(2-methylhydrazinyl) thiocyanate
PubChem CID57144808
Molecular FormulaC2H5N3S
Molecular Weight103.15 g/mol
Exact Mass103.02
IUPAC Name(2-methylhydrazinyl) thiocyanate
SMILESCNNSC#N
InChIInChI=1S/C2H5N3S/c1-4-5-6-2-3/h4-5H,1H3
InChIKeyZUKGQZYKKIXNOA-UHFFFAOYSA-N
XLogP-0.16
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl thiocyanate
CID 11168
hydron;methyl thiocyanate
CID 174813851
acetonitrile;N-methylmethanamine;hydrochloride
CID 23349362
[(E)-2-(methylamino)ethenyl] thiocyanate
CID 12772342
(E)-3-(methylamino)-2-thiocyanatobut-2-enoic acid
CID 175067318
sodium;hydride;methyl thiocyanate
CID 173405652
2-(thiocyanatoamino)ethanesulfonic acid
CID 149434490
(benzylamino) thiocyanate
CID 11344191
silver cyano thiocyanate
CID 161081862
2-thiocyanatopropan-2-yl thiocyanate
CID 19049770
(2,3-dimethyl-3-thiocyanatobutan-2-yl) thiocyanate
CID 15633172
acetonitrile;triacontahydrate
CID 141398921

Frequently Asked Questions

What is the IUPAC name of (2-methylhydrazinyl) thiocyanate?
The IUPAC name of (2-methylhydrazinyl) thiocyanate (CID 57144808) is (2-methylhydrazinyl) thiocyanate.
What is the SMILES notation for (2-methylhydrazinyl) thiocyanate?
The canonical SMILES for (2-methylhydrazinyl) thiocyanate is CNNSC#N.
What is the InChIKey of (2-methylhydrazinyl) thiocyanate?
The InChIKey is ZUKGQZYKKIXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3S/c1-4-5-6-2-3/h4-5H,1H3.
What are the key properties of (2-methylhydrazinyl) thiocyanate?
(2-methylhydrazinyl) thiocyanate has a molecular weight of 103.15 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylhydrazinyl) thiocyanate is sourced from PubChem (CID 57144808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).