(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine

C15H32As2N2S2 — CID 162408022

IUPAC(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/CCC[As](C)(C)=S)NCCC[As](C)(C)=S
InChIInChI=1S/C15H32As2N2S2/c1-14(18-11-7-9-16(3,4)20)13-15(2)19-12-8-10-17(5,6)21/h13,18H,7-12H2,1-6H3/b14-13-,19-15+
InChIKeyBNLDXVDLMLIOMN-GCYSJDCNSA-N
MW454.41 g/mol
LogP5.53
Rot. Bonds10

About (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine

(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine (PubChem CID 162408022) has the molecular formula C15H32As2N2S2 and a molecular weight of 454.41 g/mol. Its IUPAC name is (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine
PubChem CID162408022
Molecular FormulaC15H32As2N2S2
Molecular Weight454.41 g/mol
Exact Mass454.04
IUPAC Name(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/CCC[As](C)(C)=S)NCCC[As](C)(C)=S
InChIInChI=1S/C15H32As2N2S2/c1-14(18-11-7-9-16(3,4)20)13-15(2)19-12-8-10-17(5,6)21/h13,18H,7-12H2,1-6H3/b14-13-,19-15+
InChIKeyBNLDXVDLMLIOMN-GCYSJDCNSA-N
XLogP5.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine?
The IUPAC name of (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine (CID 162408022) is (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine?
The canonical SMILES for (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine is C/C(=C/C(C)=N/CCC[As](C)(C)=S)NCCC[As](C)(C)=S.
What is the InChIKey of (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine?
The InChIKey is BNLDXVDLMLIOMN-GCYSJDCNSA-N. The full InChI is InChI=1S/C15H32As2N2S2/c1-14(18-11-7-9-16(3,4)20)13-15(2)19-12-8-10-17(5,6)21/h13,18H,7-12H2,1-6H3/b14-13-,19-15+.
What are the key properties of (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine?
(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine has a molecular weight of 454.41 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine is sourced from PubChem (CID 162408022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).