(Z)-2-(propylideneamino)prop-1-ene-1-thiol

C6H11NS — CID 170975270

IUPAC(Z)-2-(propylideneamino)prop-1-ene-1-thiol
SMILESCC/C=N/C(C)=C\S
InChIInChI=1S/C6H11NS/c1-3-4-7-6(2)5-8/h4-5,8H,3H2,1-2H3/b6-5-,7-4+
InChIKeySJTCYEZLNCLPCS-IUQJDUBZSA-N
MW129.23 g/mol
LogP2.26
Rot. Bonds2

About (Z)-2-(propylideneamino)prop-1-ene-1-thiol

(Z)-2-(propylideneamino)prop-1-ene-1-thiol (PubChem CID 170975270) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-2-(propylideneamino)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(propylideneamino)prop-1-ene-1-thiol
PubChem CID170975270
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-2-(propylideneamino)prop-1-ene-1-thiol
SMILESCC/C=N/C(C)=C\S
InChIInChI=1S/C6H11NS/c1-3-4-7-6(2)5-8/h4-5,8H,3H2,1-2H3/b6-5-,7-4+
InChIKeySJTCYEZLNCLPCS-IUQJDUBZSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
1,3-di(propylidene)guanidine
CID 174857851
(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
CID 118281600
(Z)-N,N-dimethyl-3-(propylideneamino)but-2-en-2-amine
CID 122697757
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
(Z)-N-tert-butyl-N'-methyl-3-(propylideneamino)but-2-enimidamide
CID 166855253
propylidenethiourea
CID 57195256
(Z)-2-(propylideneamino)but-2-enal
CID 169111295
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
2-(propylideneamino)prop-2-enenitrile
CID 90933430

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(propylideneamino)prop-1-ene-1-thiol?
The IUPAC name of (Z)-2-(propylideneamino)prop-1-ene-1-thiol (CID 170975270) is (Z)-2-(propylideneamino)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(propylideneamino)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(propylideneamino)prop-1-ene-1-thiol is CC/C=N/C(C)=C\S.
What is the InChIKey of (Z)-2-(propylideneamino)prop-1-ene-1-thiol?
The InChIKey is SJTCYEZLNCLPCS-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-4-7-6(2)5-8/h4-5,8H,3H2,1-2H3/b6-5-,7-4+.
What are the key properties of (Z)-2-(propylideneamino)prop-1-ene-1-thiol?
(Z)-2-(propylideneamino)prop-1-ene-1-thiol has a molecular weight of 129.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(propylideneamino)prop-1-ene-1-thiol is sourced from PubChem (CID 170975270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).