(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid

C8H10N2O2S2 — CID 123586222

IUPAC(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid
SMILESCc1ccccc1N(S)N(S)C(=O)O
InChIInChI=1S/C8H10N2O2S2/c1-6-4-2-3-5-7(6)9(13)10(14)8(11)12/h2-5,13-14H,1H3,(H,11,12)
InChIKeyNUXHBWDNEQTRPS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds2

About (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid

(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid (PubChem CID 123586222) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid.

Molecular Properties

Compound Name(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid
PubChem CID123586222
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid
SMILESCc1ccccc1N(S)N(S)C(=O)O
InChIInChI=1S/C8H10N2O2S2/c1-6-4-2-3-5-7(6)9(13)10(14)8(11)12/h2-5,13-14H,1H3,(H,11,12)
InChIKeyNUXHBWDNEQTRPS-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-sulfanyl-N-(N-sulfanylanilino)carbamate
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N,N-diisocyanato-2-methylaniline
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Amino-(2-methylphenyl)carbamic acid
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1-[(Carboxyamino)-sulfinatoamino]-4-methylbenzene
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(2-Methylphenyl)-sulfanylcarbamic acid
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(2-Methylphenyl)iminocarbamic acid
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(2-Phenylphenyl)iminocarbamic acid
CID 70006602
(2,6-Dimethylanilino)carbamic acid
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Carbamic acid;2-methylaniline
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(4-Methylanilino)carbamic acid
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Frequently Asked Questions

What is the IUPAC name of (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid?
The IUPAC name of (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid (CID 123586222) is (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid.
What is the SMILES notation for (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid?
The canonical SMILES for (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid is Cc1ccccc1N(S)N(S)C(=O)O.
What is the InChIKey of (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid?
The InChIKey is NUXHBWDNEQTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-6-4-2-3-5-7(6)9(13)10(14)8(11)12/h2-5,13-14H,1H3,(H,11,12).
What are the key properties of (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid?
(2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid has a molecular weight of 230.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-N-sulfanylanilino)-sulfanylcarbamic acid is sourced from PubChem (CID 123586222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).