(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol

C6H10N2S — CID 174363092

IUPAC(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol
SMILES[H]/N=C/C=C(\C=N\[H])C(C)S
InChIInChI=1S/C6H10N2S/c1-5(9)6(4-8)2-3-7/h2-5,7-9H,1H3/b6-2+,7-3+,8-4+
InChIKeyYUNAVZJGDQRVDY-ZYUCYVLTSA-N
MW142.23 g/mol
LogP1.53
Rot. Bonds3

About (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol

(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol (PubChem CID 174363092) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol.

Molecular Properties

Compound Name(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol
PubChem CID174363092
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol
SMILES[H]/N=C/C=C(\C=N\[H])C(C)S
InChIInChI=1S/C6H10N2S/c1-5(9)6(4-8)2-3-7/h2-5,7-9H,1H3/b6-2+,7-3+,8-4+
InChIKeyYUNAVZJGDQRVDY-ZYUCYVLTSA-N
XLogP1.53
TPSA47.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol?
The IUPAC name of (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol (CID 174363092) is (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol.
What is the SMILES notation for (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol?
The canonical SMILES for (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol is [H]/N=C/C=C(\C=N\[H])C(C)S.
What is the InChIKey of (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol?
The InChIKey is YUNAVZJGDQRVDY-ZYUCYVLTSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(9)6(4-8)2-3-7/h2-5,7-9H,1H3/b6-2+,7-3+,8-4+.
What are the key properties of (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol?
(E)-5-imino-3-methanimidoylpent-3-ene-2-thiol has a molecular weight of 142.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-imino-3-methanimidoylpent-3-ene-2-thiol is sourced from PubChem (CID 174363092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).