CID 88729028

C10H18AsN4S — CID 88729028

IUPAC—
SMILESCCNc1nc(SC)nc([As]C(C)(C)C)n1
InChIInChI=1S/C10H18AsN4S/c1-6-12-8-13-7(11-10(2,3)4)14-9(15-8)16-5/h6H2,1-5H3,(H,12,13,14,15)
InChIKeyVJSVHMNRCYMTNS-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.57
Rot. Bonds4

About CID 88729028

CID 88729028 (PubChem CID 88729028) has the molecular formula C10H18AsN4S and a molecular weight of 301.27 g/mol.

Molecular Properties

Compound NameCID 88729028
PubChem CID88729028
Molecular FormulaC10H18AsN4S
Molecular Weight301.27 g/mol
Exact Mass301.05
IUPAC Name—
SMILESCCNc1nc(SC)nc([As]C(C)(C)C)n1
InChIInChI=1S/C10H18AsN4S/c1-6-12-8-13-7(11-10(2,3)4)14-9(15-8)16-5/h6H2,1-5H3,(H,12,13,14,15)
InChIKeyVJSVHMNRCYMTNS-UHFFFAOYSA-N
XLogP1.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 71752366
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
2-[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]isoindole-1,3-dione
CID 154139923
6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 68950792
4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80886573
4,6-bis(methylsulfanyl)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70472682
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[ethyl-[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-one
CID 118985467
ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
CID 797071
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 19816358

Frequently Asked Questions

What is the IUPAC name of CID 88729028?
The IUPAC name of CID 88729028 (CID 88729028) is not available.
What is the SMILES notation for CID 88729028?
The canonical SMILES for CID 88729028 is CCNc1nc(SC)nc([As]C(C)(C)C)n1.
What is the InChIKey of CID 88729028?
The InChIKey is VJSVHMNRCYMTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18AsN4S/c1-6-12-8-13-7(11-10(2,3)4)14-9(15-8)16-5/h6H2,1-5H3,(H,12,13,14,15).
What are the key properties of CID 88729028?
CID 88729028 has a molecular weight of 301.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88729028 is sourced from PubChem (CID 88729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).