2-(disulfanyl)propanimidamide

C3H8N2S2 — CID 175395946

IUPAC2-(disulfanyl)propanimidamide
SMILES[H]/N=C(\N)C(C)SS
InChIInChI=1S/C3H8N2S2/c1-2(7-6)3(4)5/h2,6H,1H3,(H3,4,5)
InChIKeyOIEYNSMLHYUCOT-UHFFFAOYSA-N
MW136.25 g/mol
LogP0.89
Rot. Bonds2

About 2-(disulfanyl)propanimidamide

2-(disulfanyl)propanimidamide (PubChem CID 175395946) has the molecular formula C3H8N2S2 and a molecular weight of 136.25 g/mol. Its IUPAC name is 2-(disulfanyl)propanimidamide.

Molecular Properties

Compound Name2-(disulfanyl)propanimidamide
PubChem CID175395946
Molecular FormulaC3H8N2S2
Molecular Weight136.25 g/mol
Exact Mass136.01
IUPAC Name2-(disulfanyl)propanimidamide
SMILES[H]/N=C(\N)C(C)SS
InChIInChI=1S/C3H8N2S2/c1-2(7-6)3(4)5/h2,6H,1H3,(H3,4,5)
InChIKeyOIEYNSMLHYUCOT-UHFFFAOYSA-N
XLogP0.89
TPSA49.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1-amino-1-iminopropan-2-yl) carbamimidothioate;dihydrochloride
CID 131862948
2-methylpropanimidamide;hydrochloride
CID 2782053
2-(3-hydroxypropylsulfanyl)propanimidamide
CID 66115191
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
2-(oxan-4-ylsulfanyl)propanimidamide
CID 62997159
(2R)-2-methoxypropanimidamide
CID 11768515
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
CID 62306169
(2S)-2-cyclopropylpropanimidamide
CID 95732542
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-fluoro-4-methylpentanimidamide
CID 115011258
1-hydroxyethyl carbamimidothioate
CID 19790650
2-ethylpropanediimidamide;dihydrochloride
CID 87175836

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)propanimidamide?
The IUPAC name of 2-(disulfanyl)propanimidamide (CID 175395946) is 2-(disulfanyl)propanimidamide.
What is the SMILES notation for 2-(disulfanyl)propanimidamide?
The canonical SMILES for 2-(disulfanyl)propanimidamide is [H]/N=C(\N)C(C)SS.
What is the InChIKey of 2-(disulfanyl)propanimidamide?
The InChIKey is OIEYNSMLHYUCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S2/c1-2(7-6)3(4)5/h2,6H,1H3,(H3,4,5).
What are the key properties of 2-(disulfanyl)propanimidamide?
2-(disulfanyl)propanimidamide has a molecular weight of 136.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)propanimidamide is sourced from PubChem (CID 175395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).