amino N-(furan-2-ylmethyl)carbamodithioate

C6H8N2OS2 — CID 4258189

IUPACamino N-(furan-2-ylmethyl)carbamodithioate
SMILESNSC(=S)NCc1ccco1
InChIInChI=1S/C6H8N2OS2/c7-11-6(10)8-4-5-2-1-3-9-5/h1-3H,4,7H2,(H,8,10)
InChIKeyBCEQSUCUCBWONM-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.26
Rot. Bonds2

About amino N-(furan-2-ylmethyl)carbamodithioate

amino N-(furan-2-ylmethyl)carbamodithioate (PubChem CID 4258189) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is amino N-(furan-2-ylmethyl)carbamodithioate.

Molecular Properties

Compound Nameamino N-(furan-2-ylmethyl)carbamodithioate
PubChem CID4258189
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Nameamino N-(furan-2-ylmethyl)carbamodithioate
SMILESNSC(=S)NCc1ccco1
InChIInChI=1S/C6H8N2OS2/c7-11-6(10)8-4-5-2-1-3-9-5/h1-3H,4,7H2,(H,8,10)
InChIKeyBCEQSUCUCBWONM-UHFFFAOYSA-N
XLogP1.26
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
CID 58911707
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)acetamide
CID 2394850
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
furan-2-ylmethylhydrazine;dihydrochloride
CID 53402165
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564804
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
2-(furan-2-yl)ethylthiourea
CID 61472901
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 82287654

Frequently Asked Questions

What is the IUPAC name of amino N-(furan-2-ylmethyl)carbamodithioate?
The IUPAC name of amino N-(furan-2-ylmethyl)carbamodithioate (CID 4258189) is amino N-(furan-2-ylmethyl)carbamodithioate.
What is the SMILES notation for amino N-(furan-2-ylmethyl)carbamodithioate?
The canonical SMILES for amino N-(furan-2-ylmethyl)carbamodithioate is NSC(=S)NCc1ccco1.
What is the InChIKey of amino N-(furan-2-ylmethyl)carbamodithioate?
The InChIKey is BCEQSUCUCBWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c7-11-6(10)8-4-5-2-1-3-9-5/h1-3H,4,7H2,(H,8,10).
What are the key properties of amino N-(furan-2-ylmethyl)carbamodithioate?
amino N-(furan-2-ylmethyl)carbamodithioate has a molecular weight of 188.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(furan-2-ylmethyl)carbamodithioate is sourced from PubChem (CID 4258189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).