[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride

C5H8ClN5S2 — CID 118856227

IUPAC[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride
SMILESNC(=[NH2+])Sc1cc(=S)[nH]c(N)n1.[Cl-]
InChIInChI=1S/C5H7N5S2.ClH/c6-4(7)12-3-1-2(11)9-5(8)10-3;/h1H,(H3,6,7)(H3,8,9,10,11);1H
InChIKeyQVCXSXDNKQAQKI-UHFFFAOYSA-N
MW237.74 g/mol
LogP-4.11
Rot. Bonds1

About [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride

[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride (PubChem CID 118856227) has the molecular formula C5H8ClN5S2 and a molecular weight of 237.74 g/mol. Its IUPAC name is [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride
PubChem CID118856227
Molecular FormulaC5H8ClN5S2
Molecular Weight237.74 g/mol
Exact Mass236.99
IUPAC Name[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride
SMILESNC(=[NH2+])Sc1cc(=S)[nH]c(N)n1.[Cl-]
InChIInChI=1S/C5H7N5S2.ClH/c6-4(7)12-3-1-2(11)9-5(8)10-3;/h1H,(H3,6,7)(H3,8,9,10,11);1H
InChIKeyQVCXSXDNKQAQKI-UHFFFAOYSA-N
XLogP-4.11
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.74
LogP ≤ 5-4.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione
CID 150371826
(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
CID 14893050
[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride
CID 134817705

Frequently Asked Questions

What is the IUPAC name of [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride?
The IUPAC name of [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride (CID 118856227) is [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride.
What is the SMILES notation for [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride?
The canonical SMILES for [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride is NC(=[NH2+])Sc1cc(=S)[nH]c(N)n1.[Cl-].
What is the InChIKey of [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride?
The InChIKey is QVCXSXDNKQAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5S2.ClH/c6-4(7)12-3-1-2(11)9-5(8)10-3;/h1H,(H3,6,7)(H3,8,9,10,11);1H.
What are the key properties of [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride?
[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride has a molecular weight of 237.74 g/mol, XLogP of -4.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride is sourced from PubChem (CID 118856227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).