(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole

C4H8N3S- — CID 86318626

IUPAC(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole
SMILESCC1=NNN([S-])[C@@H]1C
InChIInChI=1S/C4H8N3S/c1-3-4(2)7(8)6-5-3/h4,6H,1-2H3/q-1/t4-/m1/s1
InChIKeySEYNGAWHYYHXFW-SCSAIBSYSA-N
MW130.20 g/mol
LogP0.03
Rot. Bonds

About (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole

(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole (PubChem CID 86318626) has the molecular formula C4H8N3S- and a molecular weight of 130.20 g/mol. Its IUPAC name is (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole.

Molecular Properties

Compound Name(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole
PubChem CID86318626
Molecular FormulaC4H8N3S-
Molecular Weight130.20 g/mol
Exact Mass130.04
IUPAC Name(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole
SMILESCC1=NNN([S-])[C@@H]1C
InChIInChI=1S/C4H8N3S/c1-3-4(2)7(8)6-5-3/h4,6H,1-2H3/q-1/t4-/m1/s1
InChIKeySEYNGAWHYYHXFW-SCSAIBSYSA-N
XLogP0.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-2,4-dimethyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 124505716
(2S)-2,3-dimethyl-1,2-dihydropyrazine
CID 142828304
2,3,5,6-tetramethyl-3,6-dihydro-1H-1,2,4-triazine
CID 129015725
(4R)-7-ethyl-3,4,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 51476783
1,2,3,5,6-pentamethyl-2H-pyrazine
CID 67676785
(4S)-3,4,7,9-tetramethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 948578
2,4,5,6-tetramethyl-5H-triazine
CID 10396916
8-methyl-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585547
2,5-dimethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine
CID 55299106
CID 163622186
CID 163622186
lithium 1,2,2,3-tetramethylpiperazine
CID 18792084
(3R)-2,2,3-trimethylaziridine
CID 55287043

Frequently Asked Questions

What is the IUPAC name of (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole?
The IUPAC name of (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole (CID 86318626) is (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole.
What is the SMILES notation for (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole?
The canonical SMILES for (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole is CC1=NNN([S-])[C@@H]1C.
What is the InChIKey of (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole?
The InChIKey is SEYNGAWHYYHXFW-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8N3S/c1-3-4(2)7(8)6-5-3/h4,6H,1-2H3/q-1/t4-/m1/s1.
What are the key properties of (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole?
(4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole has a molecular weight of 130.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5-dimethyl-3-sulfido-2,4-dihydrotriazole is sourced from PubChem (CID 86318626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).