(ethylideneamino) carbamodithioate

C3H6N2S2 — CID 175024200

IUPAC(ethylideneamino) carbamodithioate
SMILESCC=NSC(N)=S
InChIInChI=1S/C3H6N2S2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6)
InChIKeyRZLLXXQLSWWKKO-UHFFFAOYSA-N
MW134.23 g/mol
LogP0.97
Rot. Bonds1

About (ethylideneamino) carbamodithioate

(ethylideneamino) carbamodithioate (PubChem CID 175024200) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is (ethylideneamino) carbamodithioate.

Molecular Properties

Compound Name(ethylideneamino) carbamodithioate
PubChem CID175024200
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Name(ethylideneamino) carbamodithioate
SMILESCC=NSC(N)=S
InChIInChI=1S/C3H6N2S2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6)
InChIKeyRZLLXXQLSWWKKO-UHFFFAOYSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

sodium;(ethylideneamino) carbamodithioate;hydride
CID 175024199
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
CID 171660873
methyl carbamodithioate;silver
CID 174849393
sodium;amino N-ethylidenecarbamodithioate;hydride
CID 175022401
1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330
N-ethylidenehydroxylamine
CID 157067638
prop-1-ene-1,1-diamine;dihydrochloride
CID 141360869
ethanethioamide;λ2-plumbane
CID 174888754
[(E)-prop-1-enyl]thiourea
CID 71777626
(E)-pent-3-enethioamide
CID 15307430

Frequently Asked Questions

What is the IUPAC name of (ethylideneamino) carbamodithioate?
The IUPAC name of (ethylideneamino) carbamodithioate (CID 175024200) is (ethylideneamino) carbamodithioate.
What is the SMILES notation for (ethylideneamino) carbamodithioate?
The canonical SMILES for (ethylideneamino) carbamodithioate is CC=NSC(N)=S.
What is the InChIKey of (ethylideneamino) carbamodithioate?
The InChIKey is RZLLXXQLSWWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6).
What are the key properties of (ethylideneamino) carbamodithioate?
(ethylideneamino) carbamodithioate has a molecular weight of 134.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino) carbamodithioate is sourced from PubChem (CID 175024200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).