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Basic information
- CAS
23847-08-7- Standard SMILES
O=C1CCCCCN1SSN1CCCCCC1=O- InChIKey
LGBYJXBCVZKJBL-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2S2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09662023
Names & identifiers
- Preferred name
- 1,1'-Disulfanediyldiazepan-2-one
- IUPAC
- 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one
- English name
- CAPROLACTAMDISULFIDE
- Molecular formula
- C12H20N2O2S2
- Molecular weight
- 288.43
Names & synonyms
1,1'-disulfanediyldiazepan-2-one23847-08-7DTXSID1044481UNII-4R1UA4H6WNN,N'-Caprolactam disulfide4R1UA4H6WN2H-Azepin-2-one, 1,1'-dithiobis(hexahydro-EINECS 245-910-0DTXCID90244812H-Azepin-2-one, 1,1'-dithiobis[hexahydro-EC 245-910-0RefChem:70790
Show more names
CLD 80DTDC（CLD）DithiocaprolactameCaprolactaMisulfideACCELERATOR DTDC-80Accelerator DTDC (CLD)N,N'-DithiodicaprolactamCaprolactamdisulfide CLD
245-910-02441-55-61,1'-disulfanediylbis(azepan-2-one)CAPROLACTAMDISULFIDE1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one1-[(2-oxoazepan-1-yl)dithio]azepan-2-oneMFCD00445402F0273-0060
Database identifiers
- CAS
23847-08-7- PubChem CID
- 90282
- DTXSID
DTXSID1044481- ChEMBL
CHEMBL3185848- UNII
- 4R1UA4H6WN
- EC Number
- 245-910-0
- Nikkaji
- J68.151B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 422.3 · 422.3±28.0 °C(Predicted)
- Density
- 1.28 · 1.28
- vapor pressure
- 0.06 Pa · 0.06Pa at 25℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -1.18 · -1.18±0.20(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- 1.4 g/L · 1.4g/L at 25℃
- InChI
- InChI=1S/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2
- InChIKey
- LGBYJXBCVZKJBL-UHFFFAOYSA-N
- SMILES
- S(N1CCCCCC1=O)SN1CCCCCC1=O
- LogP
- 2.25 at · 2.25 at 30℃
- FDA UNII
- 4 R1UA4H6WN · 4R1UA4H6WN
- EPA Substance Registry System
- 2 H-Azepin-2-one, · 2H-Azepin-2-one, 1,1'-dithiobis[hexahydro- (23847-08-7)
- Symbol(GHS)
- 7 · GHS07,GHS09
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers80 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
杭州布朗生物医药科技有限公司0571-85381529,0571-85381539; 15967138206 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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