(propan-2-ylideneamino) ethanimidothioate

C5H10N2S — CID 154517434

IUPAC(propan-2-ylideneamino) ethanimidothioate
SMILES[H]/N=C(\C)SN=C(C)C
InChIInChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h6H,1-3H3/b6-5+
InChIKeyHXTWIUGSLLTRKV-AATRIKPKSA-N
MW130.22 g/mol
LogP2.11
Rot. Bonds1

About (propan-2-ylideneamino) ethanimidothioate

(propan-2-ylideneamino) ethanimidothioate (PubChem CID 154517434) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (propan-2-ylideneamino) ethanimidothioate.

Molecular Properties

Compound Name(propan-2-ylideneamino) ethanimidothioate
PubChem CID154517434
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(propan-2-ylideneamino) ethanimidothioate
SMILES[H]/N=C(\C)SN=C(C)C
InChIInChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h6H,1-3H3/b6-5+
InChIKeyHXTWIUGSLLTRKV-AATRIKPKSA-N
XLogP2.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) ethanimidothioate?
The IUPAC name of (propan-2-ylideneamino) ethanimidothioate (CID 154517434) is (propan-2-ylideneamino) ethanimidothioate.
What is the SMILES notation for (propan-2-ylideneamino) ethanimidothioate?
The canonical SMILES for (propan-2-ylideneamino) ethanimidothioate is [H]/N=C(\C)SN=C(C)C.
What is the InChIKey of (propan-2-ylideneamino) ethanimidothioate?
The InChIKey is HXTWIUGSLLTRKV-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h6H,1-3H3/b6-5+.
What are the key properties of (propan-2-ylideneamino) ethanimidothioate?
(propan-2-ylideneamino) ethanimidothioate has a molecular weight of 130.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) ethanimidothioate is sourced from PubChem (CID 154517434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).