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

C6H10ClN4S2+ — CID 134817705

IUPAC[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride
SMILESCc1nc(SC(N)=[NH2+])cc(=S)[nH]1.Cl
InChIInChI=1S/C6H8N4S2.ClH/c1-3-9-4(11)2-5(10-3)12-6(7)8;/h2H,1H3,(H3,7,8)(H,9,10,11);1H/p+1
InChIKeyVLCYAQMQBFLUEU-UHFFFAOYSA-O
MW237.76 g/mol
LogP0.04
Rot. Bonds1

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

[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride (PubChem CID 134817705) has the molecular formula C6H10ClN4S2+ and a molecular weight of 237.76 g/mol. Its IUPAC name is [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride.

Molecular Properties

Compound Name[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride
PubChem CID134817705
Molecular FormulaC6H10ClN4S2+
Molecular Weight237.76 g/mol
Exact Mass237.00
IUPAC Name[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride
SMILESCc1nc(SC(N)=[NH2+])cc(=S)[nH]1.Cl
InChIInChI=1S/C6H8N4S2.ClH/c1-3-9-4(11)2-5(10-3)12-6(7)8;/h2H,1H3,(H3,7,8)(H,9,10,11);1H/p+1
InChIKeyVLCYAQMQBFLUEU-UHFFFAOYSA-O
XLogP0.04
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 50.04
H-Bond Donors ≤ 53
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride?
The IUPAC name of [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride (CID 134817705) is [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride.
What is the SMILES notation for [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride?
The canonical SMILES for [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride is Cc1nc(SC(N)=[NH2+])cc(=S)[nH]1.Cl.
What is the InChIKey of [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride?
The InChIKey is VLCYAQMQBFLUEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N4S2.ClH/c1-3-9-4(11)2-5(10-3)12-6(7)8;/h2H,1H3,(H3,7,8)(H,9,10,11);1H/p+1.
What are the key properties of [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride?
[amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride has a molecular weight of 237.76 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2-methyl-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium;hydrochloride is sourced from PubChem (CID 134817705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).