(propan-2-ylideneamino) methanimidothioate

C4H8N2S — CID 143221531

IUPAC(propan-2-ylideneamino) methanimidothioate
SMILES[H]/N=C/SN=C(C)C
InChIInChI=1S/C4H8N2S/c1-4(2)6-7-3-5/h3,5H,1-2H3/b5-3+
InChIKeyLTDLBBPPPLDVRJ-HWKANZROSA-N
MW116.19 g/mol
LogP1.72
Rot. Bonds2

About (propan-2-ylideneamino) methanimidothioate

(propan-2-ylideneamino) methanimidothioate (PubChem CID 143221531) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is (propan-2-ylideneamino) methanimidothioate.

Molecular Properties

Compound Name(propan-2-ylideneamino) methanimidothioate
PubChem CID143221531
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name(propan-2-ylideneamino) methanimidothioate
SMILES[H]/N=C/SN=C(C)C
InChIInChI=1S/C4H8N2S/c1-4(2)6-7-3-5/h3,5H,1-2H3/b5-3+
InChIKeyLTDLBBPPPLDVRJ-HWKANZROSA-N
XLogP1.72
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.72
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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Related Compounds

1-N-methylsulfanylpropane-1,2-diimine
CID 123518003
3-N-methylsulfanylbutane-2,3-diimine
CID 129072956
3-N-methylsulfanylbutane-2,3-diimine
CID 154038933
(Propan-2-ylideneamino) ethanimidothioate
CID 154517434

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) methanimidothioate?
The IUPAC name of (propan-2-ylideneamino) methanimidothioate (CID 143221531) is (propan-2-ylideneamino) methanimidothioate.
What is the SMILES notation for (propan-2-ylideneamino) methanimidothioate?
The canonical SMILES for (propan-2-ylideneamino) methanimidothioate is [H]/N=C/SN=C(C)C.
What is the InChIKey of (propan-2-ylideneamino) methanimidothioate?
The InChIKey is LTDLBBPPPLDVRJ-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2S/c1-4(2)6-7-3-5/h3,5H,1-2H3/b5-3+.
What are the key properties of (propan-2-ylideneamino) methanimidothioate?
(propan-2-ylideneamino) methanimidothioate has a molecular weight of 116.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) methanimidothioate is sourced from PubChem (CID 143221531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).