2-amino-4-sulfanyl-1H-pyrimidine-6-thione

C4H5N3S2 — CID 3034501

IUPAC2-amino-4-sulfanyl-1H-pyrimidine-6-thione
SMILESNc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C4H5N3S2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKeyJELYRSQDECKEOG-UHFFFAOYSA-N
MW159.24 g/mol
LogP1.01
Rot. Bonds

About 2-amino-4-sulfanyl-1H-pyrimidine-6-thione

2-amino-4-sulfanyl-1H-pyrimidine-6-thione (PubChem CID 3034501) has the molecular formula C4H5N3S2 and a molecular weight of 159.24 g/mol. Its IUPAC name is 2-amino-4-sulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-amino-4-sulfanyl-1H-pyrimidine-6-thione
PubChem CID3034501
Molecular FormulaC4H5N3S2
Molecular Weight159.24 g/mol
Exact Mass158.99
IUPAC Name2-amino-4-sulfanyl-1H-pyrimidine-6-thione
SMILESNc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C4H5N3S2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKeyJELYRSQDECKEOG-UHFFFAOYSA-N
XLogP1.01
TPSA54.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-sulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-amino-4-sulfanyl-1H-pyrimidine-6-thione (CID 3034501) is 2-amino-4-sulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-amino-4-sulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-amino-4-sulfanyl-1H-pyrimidine-6-thione is Nc1nc(S)cc(=S)[nH]1.
What is the InChIKey of 2-amino-4-sulfanyl-1H-pyrimidine-6-thione?
The InChIKey is JELYRSQDECKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9).
What are the key properties of 2-amino-4-sulfanyl-1H-pyrimidine-6-thione?
2-amino-4-sulfanyl-1H-pyrimidine-6-thione has a molecular weight of 159.24 g/mol, XLogP of 1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-sulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 3034501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).