[(2R)-2-methylbutyl] carbamimidothioate

C6H14N2S — CID 3084888

IUPAC[(2R)-2-methylbutyl] carbamimidothioate
SMILES[H]/N=C(\N)SC[C@H](C)CC
InChIInChI=1S/C6H14N2S/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)/t5-/m1/s1
InChIKeyPMVJDZJKRFHGST-RXMQYKEDSA-N
MW146.26 g/mol
LogP1.66
Rot. Bonds3

About [(2R)-2-methylbutyl] carbamimidothioate

[(2R)-2-methylbutyl] carbamimidothioate (PubChem CID 3084888) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is [(2R)-2-methylbutyl] carbamimidothioate.

Molecular Properties

Compound Name[(2R)-2-methylbutyl] carbamimidothioate
PubChem CID3084888
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name[(2R)-2-methylbutyl] carbamimidothioate
SMILES[H]/N=C(\N)SC[C@H](C)CC
InChIInChI=1S/C6H14N2S/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)/t5-/m1/s1
InChIKeyPMVJDZJKRFHGST-RXMQYKEDSA-N
XLogP1.66
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylbutyl] carbamimidothioate?
The IUPAC name of [(2R)-2-methylbutyl] carbamimidothioate (CID 3084888) is [(2R)-2-methylbutyl] carbamimidothioate.
What is the SMILES notation for [(2R)-2-methylbutyl] carbamimidothioate?
The canonical SMILES for [(2R)-2-methylbutyl] carbamimidothioate is [H]/N=C(\N)SC[C@H](C)CC.
What is the InChIKey of [(2R)-2-methylbutyl] carbamimidothioate?
The InChIKey is PMVJDZJKRFHGST-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H14N2S/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)/t5-/m1/s1.
What are the key properties of [(2R)-2-methylbutyl] carbamimidothioate?
[(2R)-2-methylbutyl] carbamimidothioate has a molecular weight of 146.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylbutyl] carbamimidothioate is sourced from PubChem (CID 3084888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).