(2Z)-3,4-diaminopenta-2,4-diene-2-thiol

C5H10N2S — CID 147166745

IUPAC(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
SMILESC=C(N)/C(N)=C(\C)S
InChIInChI=1S/C5H10N2S/c1-3(6)5(7)4(2)8/h8H,1,6-7H2,2H3/b5-4-
InChIKeyBWXRYFRYHSODEB-PLNGDYQASA-N
MW130.22 g/mol
LogP0.58
Rot. Bonds1

About (2Z)-3,4-diaminopenta-2,4-diene-2-thiol

(2Z)-3,4-diaminopenta-2,4-diene-2-thiol (PubChem CID 147166745) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (2Z)-3,4-diaminopenta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
PubChem CID147166745
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
SMILESC=C(N)/C(N)=C(\C)S
InChIInChI=1S/C5H10N2S/c1-3(6)5(7)4(2)8/h8H,1,6-7H2,2H3/b5-4-
InChIKeyBWXRYFRYHSODEB-PLNGDYQASA-N
XLogP0.58
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(carbamodithioic acid);2-methylprop-1-ene
CID 88714741
3-aminobuta-1,3-diene-2-thiol
CID 129207423
prop-1-en-2-amine;yttrium
CID 158882655
N'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
CID 89386289
3-methylbuta-1,3-diene-1,1,2-triamine
CID 145422855
(E)-1,2-diaminoprop-1-ene-1-thiol
CID 143171578
3-methylbut-2-ene-2-thiol
CID 19937202
prop-1-ene-1,1,2-trithiol
CID 88897307
2-methylpropane;prop-1-en-2-amine
CID 174893746
acetamide;carbamothioic S-acid
CID 160740835
2-fluoro-4-methylpenta-1,3-dien-3-amine
CID 162681971

Frequently Asked Questions

What is the IUPAC name of (2Z)-3,4-diaminopenta-2,4-diene-2-thiol?
The IUPAC name of (2Z)-3,4-diaminopenta-2,4-diene-2-thiol (CID 147166745) is (2Z)-3,4-diaminopenta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z)-3,4-diaminopenta-2,4-diene-2-thiol?
The canonical SMILES for (2Z)-3,4-diaminopenta-2,4-diene-2-thiol is C=C(N)/C(N)=C(\C)S.
What is the InChIKey of (2Z)-3,4-diaminopenta-2,4-diene-2-thiol?
The InChIKey is BWXRYFRYHSODEB-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10N2S/c1-3(6)5(7)4(2)8/h8H,1,6-7H2,2H3/b5-4-.
What are the key properties of (2Z)-3,4-diaminopenta-2,4-diene-2-thiol?
(2Z)-3,4-diaminopenta-2,4-diene-2-thiol has a molecular weight of 130.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,4-diaminopenta-2,4-diene-2-thiol is sourced from PubChem (CID 147166745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).