(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide

C10H9N3S2 — CID 11368342

IUPAC(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1Sc1ccccc1
InChIInChI=1S/C10H9N3S2/c11-8-12-10-13(6-7-14-10)15-9-4-2-1-3-5-9/h1-5H,6-7H2/b12-10-
InChIKeyGPKVCJCPUYNNQO-BENRWUELSA-N
MW235.34 g/mol
LogP2.58
Rot. Bonds2

About (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide

(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 11368342) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID11368342
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1Sc1ccccc1
InChIInChI=1S/C10H9N3S2/c11-8-12-10-13(6-7-14-10)15-9-4-2-1-3-5-9/h1-5H,6-7H2/b12-10-
InChIKeyGPKVCJCPUYNNQO-BENRWUELSA-N
XLogP2.58
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 14306192
(3-amino-1,3-thiazolidin-2-ylidene)cyanamide
CID 166854526
[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 162677218
[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 14306196
[5,6-dichloro-1-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]cyclohexa-2,4-dien-1-yl] benzoate
CID 139836723
N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide
CID 134831198
(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile
CID 21300938
methyl 2,4-dichloro-3-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]benzoate
CID 15545017
[10-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)anthracen-9-ylidene]cyanamide
CID 100929284
methyl 4-acetyloxy-4-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]cyclohexa-1,5-diene-1-carboxylate
CID 139836724
acetonitrile;phenylsulfanylbenzene
CID 175483964
[10-cyanoimino-2,8-bis(phenylsulfanyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
CID 139501646

Frequently Asked Questions

What is the IUPAC name of (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide (CID 11368342) is (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide is N#C/N=C1\SCCN1Sc1ccccc1.
What is the InChIKey of (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is GPKVCJCPUYNNQO-BENRWUELSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-8-12-10-13(6-7-14-10)15-9-4-2-1-3-5-9/h1-5H,6-7H2/b12-10-.
What are the key properties of (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide?
(3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 235.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylsulfanyl-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 11368342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).